Summary

Molecular formula: C33H52O4
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@](C1(C)C)(C)CCC1=C2CC[C@]2(C1CC[C@@H]2[C@H](C(=O)O)CCC(=C)C(C)C)C)C
InChI: InChI=1S/C33H52O4/c1-20(2)21(3)10-11-24(29(35)36)26-13-12-25-23-14-19-33(9)30(5,6)28(37-22(4)34)16-18-32(33,8)27(23)15-17-31(25,26)7/h20,24-26,28H,3,10-19H2,1-2,4-9H3,(H,35,36)/t24-,25?,26-,28-,31+,32-,33+/m1/s1
InChIKey: PNIGSCJUSUPUOR-VWTZMXRKSA-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:
3a-acetoxy-5a-lanosta-8,24(240)-dien-21-oic acid

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Chemical structure download