Summary

Molecular formula: C29H40O5
SMILES: CC(C(=C)CCC(C1CCC2C1(C)CC(=O)C1=C2C(=O)CC2C1(C)CCC(=O)[C@H]2C)C)C(=O)O
InChI: InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16?,17?,18-,19?,20?,21?,28?,29?/m0/s1
InChIKey: DVORYMAGXQGBQK-BQPMOXFZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CC(C)C21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ergostane steroids

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Synonymous chemical names:
antcin b, anticin b

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External chemical identifiers:
CID_387397; CHEMSPIDER_23284575

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Chemical structure download