Summary

Molecular formula: C35H54O8
SMILES: O[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C/C=C/C(O)(C)C)O)O
InChI: InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(39)43-28-27(38)24(36)19-42-30(28)40)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38,40-41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21-,24-,25+,27+,28-,30-,33-,34-,35+/m1/s1
InChIKey: PIXBMLWQDSJWSM-JCGSAEKZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCC(CC(=O)OC2CCCOC2)C1CC3

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CCC2C(CC(O)OC4CCCOC4)CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CCC2C(CC(C)CC4CCCCC4)CCC23)C1

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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:
fomitoside a

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External chemical identifiers:
NPATLAS_NPA011761; CHEMSPIDER_78437670

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Chemical structure download