Summary

Molecular formula: C36H52O8
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CCC3[C@](C1=CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C)[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)C)C
InChI: InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29?,30-,31-,34+,35+,36+/m0/s1
InChIKey: OCLVBEOPEKEKNM-JULLMSSDSA-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:
lanosta-7,9(11),24-trien-3b,15 a ,22b-triacetoxy-26-oic acid

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Chemical structure download