- Macropyllanosides A-D, secoiridoid glycosides from Hydrangea macrophylla subsp. serrataBy Kikuchi, Masao et al, Heterocycles, 2008, 76(1), 313-320
Cas no 77988-07-9 (Secologanin Acetal)
Secologanin Acetal structure
Product Name:Secologanin Acetal
CAS No:77988-07-9
MF:C19H30O11
MW:434.434907436371
CID:581168
PubChem ID:157140
Update Time:2025-04-19
Secologanin Acetal Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-5-carboxylicacid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester,(2S,3R,4S)-
- Secologanin dimethyl acetal
- 2H-Pyran-5-carboxylicacid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihy...
- [ "" ]
- 77988-07-9
- methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
- CHEMBL464473
- FS-9260
- CS-0103571
- AKOS040762323
- HY-126407
- DTXSID60228642
- 2H-Pyran-5-carboxylic acid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)-
- (-)-Secologanin dimethyl acetal
- DA-57771
- METHYL (4S,5R,6S)-4-(2,2-DIMETHOXYETHYL)-5-ETHENYL-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLATE
- Secologanin Acetal
-
- Inchi： 1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1
- InChI Key： HUVIXLWRQSMCLN-PXRCHJMLSA-N
- SMILES： O([C@H]1[C@H](C=C)[C@@H](C(C(=O)OC)=CO1)CC(OC)OC)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 434.17900
- Monoisotopic Mass: 434.17881177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 30
- Rotatable Bond Count: 10
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 153?2
Experimental Properties
- Color/Form: Powder
- Density: 1.4±0.1 g/cm3
- Boiling Point: 578.2±50.0 °C at 760 mmHg
- Flash Point: 197.0±23.6 °C
- PSA: 153.37000
- LogP: -1.35650
- Vapor Pressure: 0.0±3.6 mmHg at 25°C
Secologanin Acetal Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
Secologanin Acetal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN4981-1 mg |
Secologanin dimethyl acetal |
77988-07-9 | 1mg |
￥2035.00 | 2022-04-26 | ||
| TRC | S239650-1mg |
Secologanin Acetal |
77988-07-9 | 1mg |
$190.00 | 2023-05-17 | ||
| TRC | S239650-10mg |
Secologanin Acetal |
77988-07-9 | 10mg |
$1499.00 | 2023-05-17 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S10990-5mg |
Secologanin dimethyl acetal |
77988-07-9 | 5mg |
￥4000.0 | 2021-09-07 | ||
| TargetMol Chemicals | TN4981-1 ml * 10 mm |
Secologanin dimethyl acetal |
77988-07-9 | 1 ml * 10 mm |
￥ 3810 | 2024-07-19 | ||
| A2B Chem LLC | AH54387-1mg |
Secologanin dimethyl acetal |
77988-07-9 | >96% | 1mg |
$599.00 | 2024-04-19 | |
| A2B Chem LLC | AH54387-5mg |
Secologanin dimethyl acetal |
77988-07-9 | 96.0% | 5mg |
$660.00 | 2024-04-19 | |
| TargetMol Chemicals | TN4981-5 mg |
Secologanin dimethyl acetal |
77988-07-9 | 98% | 5mg |
￥ 3,710 | 2023-07-10 | |
| TargetMol Chemicals | TN4981-1 mL * 10 mM (in DMSO) |
Secologanin dimethyl acetal |
77988-07-9 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 3810 | 2023-09-15 | |
| TargetMol Chemicals | TN4981-5mg |
Secologanin dimethyl acetal |
77988-07-9 | 5mg |
￥ 3710 | 2024-07-19 |
Secologanin Acetal Production Method
Production Method 1
Reaction Conditions
1.1R:HCl, S:MeOH, 2 h, reflux
1.2R:Ag2CO3, neutralized
1.2R:Ag2CO3, neutralized
Reference
Secologanin Acetal Raw materials
Secologanin Acetal Preparation Products
Secologanin Acetal Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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