Summary

Molecular formula: C30H38O7
SMILES: O=C(CC(C1=CC(=O)[C@@]2([C@]1(C)C(=O)C=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)CC(C(=O)O)C
InChI: InChI=1S/C30H38O7/c1-16(25(35)36)12-17(31)15-28(5,37)21-14-24(34)29(6)18-8-9-20-26(2,3)22(32)10-11-27(20,4)19(18)13-23(33)30(21,29)7/h8,13-14,16,20,37H,9-12,15H2,1-7H3,(H,35,36)/t16?,20-,27+,28?,29+,30-/m0/s1
InChIKey: JFCYOZDABVWLAB-OGJFIDDRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4C=CC(=O)C4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CC(O)C2CCC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CC(C)C2CCC(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:
20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid

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External chemical identifiers:
CID_139591687; NPATLAS_NPA024573; CHEMSPIDER_78439559

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Chemical structure download