Summary

Molecular formula: C37H58O9
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)CC[C@@H]2[C@H](C(=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C/C=C/C(O)(C)C)C)C
InChI: InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23-,26-,27+,28-,29+,30-,32+,35-,36-,37+/m1/s1
InChIKey: SZJHDEBBAHZWAS-JYUDEBFNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCC2C3=C(CCC12)C1CCCCC1CC3)OC1CCCCO1

Scaffold Graph/Node level:
OC(CC1CCC2C1CCC1C3CCCCC3CCC12)OC1CCCCO1

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 e

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External chemical identifiers:
CID_11158025; NPATLAS_NPA009746; CHEMSPIDER_9333133; ZINC_ZINC000049833390

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Chemical structure download