Basic information
- CAS
17278-28-3- Standard SMILES
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C- InChIKey
WTBZNVRBNJWSPF-DZEACCAPSA-N- Molecular formula
- C32H46O8
- Average molar mass
- 558.7 g/mol
- Monoisotopic mass
- 558.31926842
Overview
Isocucurbitacin B has been reported in Trichosanthes hupehensis, Trichosanthes tricuspidata, and other organisms with data available.
Names & identifiers
- Preferred name
- Isocucurbitacin B
- IUPAC
- [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
- English name
- isocucurbitacin B
- Molecular formula
- C32H46O8
- Molecular weight
- 558.7
Names & synonyms
Isocucurbitacin B17278-28-3epi-Isocucurbitacin B[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetateDTXSID101316518((E,6R)-6-((3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl) acetateRefChem:149225DTXCID601746362NSC1064002-EPICUCURBITICIN BCucurbitacin Impurity 11CUCURBITCIN B,2-EPI-
Show more names
NSC 106400Isocindrin BIsoucurbitacin BCucurbitacin impurity 1(3alpha,9beta,10alpha,16alpha,23E)-25-(Acetyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-2,11,22-trione
orb1684519SCHEMBL10307348HY-N4189MFCD30180088TN1776AKOS040760471NSC-106400DA-74551
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
Chemistry & industry
Applications
UsesIsocucurbitacin B is a potent cytotoxic compound isolated from Helicteres rswa L. (Sterculiaceae). Isocucurbitacin B possesses anti-tumor acticity[1][2].
Suppliers67 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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