Summary

Molecular formula: C30H42O9
SMILES: O=C(C[C@@](C1=C[C@H]([C@@]2([C@]1(C)C(=O)C=C1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)C[C@@H](O)[C@@H](C2(C)C)O)C)O)(O)C)CC(C(=O)O)C
InChI: InChI=1S/C30H42O9/c1-14(24(36)37)8-15(31)12-27(5,38)19-10-21(34)29(7)28(19,6)20(33)9-18-26(4)13-16(32)23(35)25(2,3)17(26)11-22-30(18,29)39-22/h9-10,14,16-17,21-23,32,34-35,38H,8,11-13H2,1-7H3,(H,36,37)/t14?,16-,17+,21-,22+,23+,26+,27+,28+,29-,30-/m1/s1
InChIKey: DRCONWGQHWLZJX-JKCMNWTCSA-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 d

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External chemical identifiers:
CID_21668666; NPATLAS_NPA006725; CHEMSPIDER_10276022

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Chemical structure download