Summary

Molecular formula: C30H42O9
SMILES: OC[C@]12CC[C@@H](C([C@@H]1C[C@H]1[C@@]3(C2=CC(=O)[C@]2([C@@]3(C)[C@H](O)C=C2[C@](CC(=O)CC(C(=O)O)C)(O)C)C)O1)(C)C)O
InChI: InChI=1S/C30H42O9/c1-15(24(36)37)9-16(32)13-26(4,38)18-10-22(35)28(6)27(18,5)21(34)11-19-29(14-31)8-7-20(33)25(2,3)17(29)12-23-30(19,28)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-,26-,27-,28+,29+,30+/m0/s1
InChIKey: XXKAPAYWTQDHCB-FGDXXNILSA-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 f

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External chemical identifiers:
CID_21668668; NPATLAS_NPA008423; CHEMSPIDER_10276024

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Chemical structure download