Summary

Molecular formula: C32H50O5
SMILES: CC(=CCC[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)C(=O)O)C
InChI: InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,26+,27+,30-,31-,32+/m1/s1
InChIKey: SRDNLMOBFKJOSD-KOCSMGCBSA-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:
3-o-acetyl-16a-hydroxytrametenolic acid

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External chemical identifiers:
CID_15226712; NPATLAS_NPA001340; CHEMSPIDER_72975884; ZINC_ZINC000085585851; Molport_MolPort-046-836-813

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Chemical structure download