Summary

Molecular formula: C33H52O5
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)[C@@]2([C@@H](CC1)C(C)(C)[C@H](CC2)O)C)C)[C@H](C(=O)O)CCC(=C)C(C)C
InChI: InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33-/m1/s1
InChIKey: RJOPQRPLBQGRDI-UXYVAYPWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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:
versisponic acid d

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External chemical identifiers:
CID_10530213; CHEMSPIDER_78437500; ZINC_ZINC000085602392

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Chemical structure download