Summary

Molecular formula: C30H46O2
SMILES: CC(C(=C)C[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CCC(=O)[C@H]2C)C)C)O)C
InChI: InChI=1S/C30H46O2/c1-18(2)19(3)17-27(32)21(5)23-11-15-30(8)25-10-9-22-20(4)26(31)13-14-28(22,6)24(25)12-16-29(23,30)7/h10,12,18,20-23,27,32H,3,9,11,13-17H2,1-2,4-8H3/t20-,21-,22?,23+,27+,28-,29+,30-/m0/s1
InChIKey: NNWAYAOFBKDQIA-XKLJGBPTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)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:
igniaren a

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External chemical identifiers:
CID_139584238; NPATLAS_NPA004157; CHEMSPIDER_28287135

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Chemical structure download