Cas no 1111-39-3 (Digitoxin 3'''-Acetate)
Digitoxin 3'''-Acetate structure
Product Name:Digitoxin 3'''-Acetate
CAS No:1111-39-3
MF:C43H66O14
MW:806.975755214691
MDL:MFCD00151402
CID:142372
PubChem ID:5284512
Update Time:2025-04-19
Digitoxin 3'''-Acetate Chemical and Physical Properties
Names and Identifiers
-
- ACETYLDIGITOXIN
- Digitoxin 3'''-Acetate
- 3'"-O-acetyl digitoxin
- 3'''-Acetyldigitoxin
- 4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)-
- 4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®
- Acedigal
- Acetildigitoxina
- Acetyl-digitoxine
- Acetyldigitoxinum
- acylanid
- adicin
- Digitoxigenin 3-O-bisdigitoxosidoacetodigitoxoside
- digitoxin 3"'-acetate
- a-Form
- alpha-acetyldigitoxin
- acetyl-digitoxin-alpha
- CHEBI:53773
- Acetyldiginatin
- 3'''-O-acetyldigitoxin
- Digitoxin, alpha-acetyl-
- NS00023555
- 0ZV4Q4L2FU
- SCHEMBL309649
- Acylanide
- Acetildigitoxina [INN-Spanish]
- EN300-24432971
- Digitoxin, acetate, alpha-
- acetildigitossina
- Acetylgitoxin
- Acetyldigitoxin [INN]
- EINECS 214-178-4
- Acetyldigitoxinum [INN-Latin]
- ACETYLDIGITOXIN [ORANGE BOOK]
- ACETYLDIGITOXINS .ALPHA.-FORM [MI]
- (3.BETA.,5.BETA.)-3-((O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
- Digitoxin, 3'''-acetate
- alpha-Monoacetyldigitoxin
- [(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
- CS-0006116
- Acylanid (TN)
- D06881
- Acetyldigitoxins .alpha.-form
- alpha-Acetyldigitoxins
- ACETYLDIGITOXIN [MART.]
- ACETYLDIGITOXIN [WHO-DD]
- acetyldigitoxine
- ACETYLDIGITOXINS alpha-FORM
- Card-20(22)-enolide, 3-((O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
- C01AA01
- (2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3
- DB00511
- (2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-3-hydroxy-2-methyloxan-4-yl acetate
- alpha-Acetylgitaloxin
- C01AA02
- C22191
- (2R,3R,4S,6S)-3-hydroxy-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,2S,5S,7R,10R,11S,14R,15R)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-4-yl acetate
- AKOS040750096
- Acetyldigitoxin (INN)
- GTPL6794
- (3beta,5beta)-3-{[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
- DTXSID6022551
- BRN 0077291
- CHEMBL3545057
- Acetyldigitoxinum (INN-Latin)
- 3beta-(3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
- Acetyldigitoxin [INN:NF]
- Desglucolanatoside A
- (3beta,5beta)-3-((O-3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
- 3beta-[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
- 1111-39-3
- (3beta,5beta)-3-((O-3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
- Acetyldigitoxins
- HY-16022
- Acetildigitoxina (INN-Spanish)
- ACETYLDIGITOXIN (MART.)
- DTXCID001473935
- UNII-0ZV4Q4L2FU
- 25395-32-8
- HPMZBILYSWLILX-UMDUKNJSSA-N
- DA-60729
- 214-178-4
-
- MDL: MFCD00151402
- Inchi: 1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
- InChI Key: HPMZBILYSWLILX-UMDUKNJSSA-N
- SMILES: O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)OC(C)=O)O)O
Computed Properties
- Exact Mass: 806.44500
- Monoisotopic Mass: 806.445
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 57
- Rotatable Bond Count: 9
- Complexity: 1520
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 20
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 189A^2
Experimental Properties
- Density: 1.1009 (rough estimate)
- Melting Point: 217-221°
- Boiling Point: 673.84°C (rough estimate)
- Flash Point: 265°C
- Refractive Index: 1.6130 (estimate)
- PSA: 188.90000
- LogP: 3.81810
- Specific Rotation: D20 +5.0° (c = 0.7 in pyridine)
Digitoxin 3'''-Acetate Security Information
- Hazardous Material transportation number:UN 3249
- Packing Group:II
- Hazard Level:6.1(a)
- HazardClass:6.1(a)
- PackingGroup:II
- Safety Term:6.1(a)
- Packing Group:II
- Storage Condition:Warehouse ventilation and low temperature drying
Digitoxin 3'''-Acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D445385-1mg |
Digitoxin 3'''-Acetate |
1111-39-3 | 1mg |
$ 265.00 | 2023-09-07 | ||
| TRC | D445385-10mg |
Digitoxin 3'''-Acetate |
1111-39-3 | 10mg |
$ 2070.00 | 2023-09-07 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci21190-1mg |
Acetyldigitoxin |
1111-39-3 | 98% | 1mg |
¥3152.00 | 2023-09-09 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci21190-5mg |
Acetyldigitoxin |
1111-39-3 | 98% | 5mg |
¥12688.00 | 2023-09-09 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci21190-500ug |
Acetyldigitoxin |
1111-39-3 | 98% | 500ug |
¥1823.00 | 2023-09-09 | |
| Biosynth | BAA11139-1 mg |
Digitoxin 3'''-acetate |
1111-39-3 | 1mg |
$490.88 | 2023-01-05 | ||
| Biosynth | BAA11139-5 mg |
Digitoxin 3'''-acetate |
1111-39-3 | 5mg |
$1,595.40 | 2023-01-05 | ||
| Biosynth | BAA11139-10 mg |
Digitoxin 3'''-acetate |
1111-39-3 | 10mg |
$2,552.60 | 2023-01-05 | ||
| Biosynth | BAA11139-25 mg |
Digitoxin 3'''-acetate |
1111-39-3 | 25mg |
$4,786.00 | 2023-01-05 | ||
| Enamine | EN300-24432971-0.05g |
1111-39-3 | 95% | 0.05g |
$636.0 | 2024-06-19 |
Digitoxin 3'''-Acetate Related Literature
-
1. Plant species forbidden in health food and their toxic constituents, toxicology and detoxificationXi-Lin Xu,Yu Shang,Jian-Guo Jiang Food Funct. 2016 7 643
1111-39-3 (Digitoxin 3'''-Acetate) Related Products
- 17598-65-1(Deslanoside)
- 17575-22-3(lanatoside C)
- 1182-87-2(Peruvoside (90%))
- 11018-89-6(Ouabain Octahydrate)
- 127299-95-0(Digoxin-d3)
- 71-63-6(Digitoxin)
- 13137-64-9(Periplocin)
- 17575-20-1(Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)-)
- 27215-14-1(Neoandrographolide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
CN Supplier
Bulk