Summary

Molecular formula: C30H40O9
SMILES: O=C(C[C@@](C1=C[C@H]([C@@]2([C@]1(C)C(=O)C=C1[C@@]2(O)C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)(O)C)CC(C(=O)O)C
InChI: InChI=1S/C30H40O9/c1-15(24(36)37)10-16(31)14-27(5,38)19-13-22(34)29(7)28(19,6)21(33)12-18-26(4)9-8-20(32)25(2,3)17(26)11-23(35)30(18,29)39/h12-13,15,17,22,34,38-39H,8-11,14H2,1-7H3,(H,36,37)/t15?,17-,22+,26-,27-,28-,29+,30+/m0/s1
InChIKey: KSROOTXYLRZSJU-KWPPVOMHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4C=CCC4C3C(=O)CC2C1

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3C(O)CC21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3C(C)CC21

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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:
elfvingic acid g

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External chemical identifiers:
CID_15540519; NPATLAS_NPA018568; CHEMSPIDER_10276025

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Chemical structure download