Summary

Molecular formula: C36H58O8
SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)CCC=C(C)C
InChI: InChI=1S/C36H58O8/c1-20(2)9-8-10-21(31(41)44-30-29(40)28(39)25(19-37)43-32(30)42)22-13-17-36(7)24-11-12-26-33(3,4)27(38)15-16-34(26,5)23(24)14-18-35(22,36)6/h9,21-22,25-30,32,37-40,42H,8,10-19H2,1-7H3/t21-,22-,25-,26+,27-,28-,29+,30-,32-,34-,35-,36+/m1/s1
InChIKey: JIESWXRJWVOIGO-NLXUJKFSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCC2C3=C(CCC12)C1CCCCC1CC3)OC1CCCOC1

Scaffold Graph/Node level:
OC(CC1CCC2C1CCC1C3CCCCC3CCC12)OC1CCCOC1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCC2C1CCC1C3CCCCC3CCC12

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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 i

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External chemical identifiers:
NPATLAS_NPA000297; CHEMSPIDER_78436274

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Chemical structure download