Summary

Molecular formula: C30H44O4
SMILES: OCC(=CCC(=O)[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO
InChI: InChI=1S/C30H44O4/c1-19(24(33)9-7-20(17-31)18-32)21-11-15-30(6)23-8-10-25-27(2,3)26(34)13-14-28(25,4)22(23)12-16-29(21,30)5/h7-8,12,19,21,25,31-32H,9-11,13-18H2,1-6H3/t19-,21+,25-,28+,29+,30-/m0/s1
InChIKey: RJDPCEHRSNQFNS-ZVUAKGHBSA-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: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
26,27-dihydroxy-5 a -lanosta-7,9(11),24-triene-3,22-dione

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External chemical identifiers:
CID_102011669; ZINC_ZINC000255262459

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Chemical structure download