Summary

Molecular formula: C31H46O4
SMILES: O=C/C(=C/CC[C@H]([C@H]1C[C@@H](C2[C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)OC(=O)C)C)/C
InChI: InChI=1S/C31H46O4/c1-19(18-32)9-8-10-20(2)24-17-25(35-21(3)33)28-22-11-12-26-29(4,5)27(34)14-16-30(26,6)23(22)13-15-31(24,28)7/h9,11,13,18,20,24-28,34H,8,10,12,14-17H2,1-7H3/b19-9+/t20-,24-,25+,26+,27+,28?,30-,31-/m1/s1
InChIKey: RIJMEOHCVLVEOC-MHEPUCMQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(=CCC3CCCCC23)C2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
3b-hydroxy-15a-acetoxy-5alanosta-7,9(11),24-trien-26-al

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Chemical structure download