Cas no 53729-52-5 (Bruceantinol)
Bruceantinol structure
Product Name:Bruceantinol
CAS No:53729-52-5
MF:C30H38O13
MW:606.61493062973
CID:1587798
PubChem ID:5281305
Update Time:2025-08-03
Bruceantinol Chemical and Physical Properties
Names and Identifiers
-
- methyl (11beta,12alpha,13beta,15beta)-15-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
- methyl (11beta,12alpha,15beta)-15-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
- picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
- Bruceantinol
- methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
- PD166597
- CHEBI:3189
- DTXSID70415102
- HY-N8146
- MS-30670
- CHEMBL399894
- Q27105980
- C08750
- 53729-52-5
- CS-0140202
- AKOS040760307
- E88745
- DA-71775
-
- Inchi： 1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1
- InChI Key： SREUSBYRKOPNJK-AJPRWBMOSA-N
- SMILES： O1C[C@@]23[C@H]4C[C@H]5C(C)=C(C(C[C@]5(C)[C@H]2[C@H]([C@@H]([C@]1(C(=O)OC)[C@@H]3[C@H](C(=O)O4)OC(/C=C(\C)/C(C)(C)OC(C)=O)=O)O)O)=O)O
Computed Properties
- Exact Mass: 606.23124126g/mol
- Monoisotopic Mass: 606.23124126g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 43
- Rotatable Bond Count: 8
- Complexity: 1360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 192?2
Experimental Properties
- Color/Form: Powder
- Density: 1.4±0.1 g/cm3
- Boiling Point: 788.2±60.0 °C at 760 mmHg
- Flash Point: 253.6±26.4 °C
- Vapor Pressure: 0.0±6.2 mmHg at 25°C
Bruceantinol 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 ℃
Bruceantinol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1453-1 mg |
Bruceantinol |
53729-52-5 | 99.52% | 1mg |
￥974.00 | 2022-04-26 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1453-5 mg |
Bruceantinol |
53729-52-5 | 99.52% | 5mg |
￥1987.00 | 2022-04-26 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1453-10 mg |
Bruceantinol |
53729-52-5 | 99.52% | 10mg |
￥2981.00 | 2022-04-26 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1453-25 mg |
Bruceantinol |
53729-52-5 | 99.52% | 25mg |
￥5366.00 | 2022-04-26 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1453-50 mg |
Bruceantinol |
53729-52-5 | 99.52% | 50mg |
￥7987.00 | 2022-04-26 | |
| MedChemExpress | HY-N8146-5mg |
Bruceantinol |
53729-52-5 | 98.89% | 5mg |
￥2500 | 2025-04-16 | |
| TargetMol Chemicals | TN1453-5mg |
Bruceantinol |
53729-52-5 | 99.52% | 5mg |
￥ 1980 | 2024-07-20 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B48100-5 mg |
methyl (11beta,12alpha,13beta,15beta)-15-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
53729-52-5 | 5mg |
￥5760.0 | 2022-04-28 | ||
| MedChemExpress | HY-N8146-1mg |
Bruceantinol |
53729-52-5 | 98.89% | 1mg |
￥980 | 2025-04-16 | |
| TargetMol Chemicals | TN1453-5 mg |
Bruceantinol |
53729-52-5 | 98.98% | 5mg |
￥ 2,520 | 2023-07-11 |
Bruceantinol Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:53729-52-5)Bruceantinol
Order Number:A1203886
Stock Status:in Stock
Quantity:5mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:51
Price ($):386.0
Email:[email protected]
Bruceantinol Related Literature
-
1. Microbial transformations of natural antitumour agents. Part 15. Metabolism of bruceantin by Streptomyces griseusMillie M. Chien,John P. Rosazza J. Chem. Soc. Perkin Trans. 1 1981 1352
-
M. A. Baldwin Nat. Prod. Rep. 1995 12 33
-
Sianne Schwikkard,Fanie R. van Heerden Nat. Prod. Rep. 2002 19 675
53729-52-5 (Bruceantinol) Related Products
- 53663-02-8( )
- 25514-30-1(Picras-3-en-21-oicacid,13,20-epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxo-,(11b,12a,15b)-)
- 101910-72-9(Picras-2-en-21-oicacid,15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI))
- 14907-98-3(Brusatol)
- 41451-75-6(Bruceantin)
- 14907-99-4(Picras-3-en-21-oicacid,3,11,12-tris(acetyloxy)-13,20-epoxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI))
- 53662-98-9(Dehydrobruceantin)
- 78338-23-5(methyl (11beta,12alpha,13xi,15beta)-3,11,12-trihydroxy-15-{[(2E)-3-(2-methyloxiran-2-yl)but-2-enoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oate)
- 76215-40-2(Picras-3-en-21-oicacid,3,15-bis[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-11,12-dihydroxy-2,16-dioxo-,methyl ester, [3(E),11b,12a,15b(E)]- (9CI))
- 81610-86-8(Picras-3-en-21-oicacid,13,20-epoxy-11,12-dihydroxy-3,15-bis[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI))
Recommended suppliers
Amadis Chemical Company Limited
(CAS:53729-52-5)Bruceantinol
Purity:99%
Quantity:5mg
Price ($):386.0