Summary

Molecular formula: C30H38O8
SMILES: O=C(CC(C1=CC(=O)[C@@]2([C@]1(C)C(=O)C=C1[C@]32O[C@@H]3C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)CC(C(=O)O)C
InChI: InChI=1S/C30H38O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,23,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,23+,26-,27?,28-,29+,30-/m0/s1
InChIKey: LZUGLYPIDYYQJP-YUVIQOKKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4C=CC(=O)C4C34OC4CC2C1

Scaffold Graph/Node level:
OC1CCC2C(C1)CC1OC13C2CC(O)C1CCC(O)C13

Scaffold Graph level:
CC1CCC2C(C1)CC1CC13C2CC(C)C1CCC(C)C13

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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:
applanoxidic acid b

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External chemical identifiers:
NPATLAS_NPA013966

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Chemical structure download