Summary

Molecular formula: C29H40O5
SMILES: C=C(C(C(=O)O)C)CC[C@H]([C@H]1CC=C2[C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CCC(=O)[C@H]2C)C
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/h10,16-19,21,23,31H,1,7-9,11-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,21?,23+,28+,29-/m1/s1
InChIKey: ZPSJWLSADLCKBZ-GIMPTUAXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1=CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

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Synonymous chemical names:
antcin f

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External chemical identifiers:
CID_15786230; CAS_172549-40-5; NPATLAS_NPA005305; CHEMSPIDER_78445586

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Chemical structure download