Summary

Molecular formula: C30H46O4
SMILES: O=C[C@@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@H](C2(C)C)O)C)CC/C=C(/CO)C
InChI: InChI=1S/C30H46O4/c1-19(17-31)8-7-9-20(18-32)26-23(33)16-30(6)22-10-11-24-27(2,3)25(34)13-14-28(24,4)21(22)12-15-29(26,30)5/h8,10,12,18,20,23-26,31,33-34H,7,9,11,13-17H2,1-6H3/b19-8+/t20-,23+,24?,25+,26-,28+,29+,30-/m0/s1
InChIKey: CCICGMBTPLDXDJ-HXZGCYILSA-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: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
3a ,16a,26-trihydroxylanosta-7,9(11),24-trien-21-oic acid

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Chemical structure download