Summary

Molecular formula: C32H48O6
SMILES: CC(=O)O[C@H](C([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@H](C2(C)C)O)C)O)C)C/C=C(/C(=O)O)C
InChI: InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+/t19?,23-,24+,25?,26-,27+,30-,31-,32-/m1/s1
InChIKey: PXBRGMAJKPPNOG-DRIPWNGSSA-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:
22b-acetoxy-3 a ,15 a -dihydroxylanosta-7,9(11),24-trien-26-oic acid, 22b-acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid

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External chemical identifiers:
CID_139585392; NPATLAS_NPA008197; CHEMSPIDER_78439692

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Chemical structure download