Summary

Molecular formula: C37H60O8
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)C
InChI: InChI=1S/C37H60O8/c1-20(2)21(3)9-10-22(32(42)45-31-30(41)29(40)26(19-38)44-33(31)43)23-13-17-37(8)25-11-12-27-34(4,5)28(39)15-16-35(27,6)24(25)14-18-36(23,37)7/h20,22-23,26-31,33,38-41,43H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,28-,29-,30+,31-,33-,35-,36-,37+/m1/s1
InChIKey: MLULOKGFNLICLC-LXWNUUNISA-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 j

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External chemical identifiers:
NPATLAS_NPA007688; CHEMSPIDER_78437159

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Chemical structure download