Summary

Molecular formula: C29H46O4
SMILES: CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1C[C@@H](C2=C3[C@@](CC[C@]12C)(O)[C@@]1(C)CC[C@@H](C[C@@H]1CC3=O)O)O)C
InChI: InChI=1S/C29H46O4/c1-7-19(17(2)3)9-8-18(4)22-16-24(32)25-26-23(31)15-20-14-21(30)10-11-28(20,6)29(26,33)13-12-27(22,25)5/h8-9,17-22,24,30,32-33H,7,10-16H2,1-6H3/b9-8+/t18-,19-,20-,21+,22-,24+,27-,28+,29-/m1/s1
InChIKey: BIDNVTVZCOKKAF-FAGXQHCLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2CCC3CCCC3=C12

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Stigmastanes and derivatives

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Synonymous chemical names:
leiwansterol b

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External chemical identifiers:
CID_139586809; NPATLAS_NPA013407; CHEMSPIDER_78441266; ZINC_ZINC000255199686

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Chemical structure download