Summary

Molecular formula: C30H42O9
SMILES: OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1C[C@@H]1O[C@@]31C2=CC(=O)[C@]1([C@@]3(C)[C@H](O)C=C1[C@](CC(=O)CC(C(=O)O)C)(O)C)C)C
InChI: InChI=1S/C30H42O9/c1-15(24(36)37)9-16(32)13-27(4,38)19-11-22(35)29(6)28(19,5)21(34)10-18-25(2)8-7-20(33)26(3,14-31)17(25)12-23-30(18,29)39-23/h10-11,15,17,20,22-23,31,33,35,38H,7-9,12-14H2,1-6H3,(H,36,37)/t15?,17-,20+,22-,23+,25+,26+,27+,28+,29-,30-/m1/s1
InChIKey: KCQYWDVUFDEZQI-WWXWNECVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C3CCCCC3CC3OC23C2CC=CC12

Scaffold Graph/Node level:
OC1CC2C3CCCCC3CC3OC32C2CCCC12

Scaffold Graph level:
CC1CC2C3CCCCC3CC3CC32C2CCCC12

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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 e

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External chemical identifiers:
CID_21668667; NPATLAS_NPA007373; CHEMSPIDER_10276023

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Chemical structure download