Summary

Molecular formula: C29H42O5
SMILES: CC(C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)C)C(=O)O
InChI: InChI=1S/C29H42O5/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/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,28+,29-/m1/s1
InChIKey: TXEJUZMIQVTZHO-JNXQNPAGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2=O

Scaffold Graph/Node level:
OC1CC2CCCC2C2C(O)CC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2C(C)CC3CCCCC3C12

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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 i, zhankuic acid b

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External chemical identifiers:
CID_53323940; NPATLAS_NPA015828; CHEMSPIDER_26375603

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Chemical structure download