Summary

Molecular formula: C28H40O6
SMILES: COC(=O)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H]2C[C@H]([C@](C1)(O2)CCC(=O)O)C(=C)C)C)C
InChI: InChI=1S/C28H40O6/c1-16(2)20-13-22-25-18(14-28(20,34-22)12-10-23(30)31)21(29)15-27(5)19(9-11-26(25,27)4)17(3)7-8-24(32)33-6/h17,19-20,22H,1,7-15H2,2-6H3,(H,30,31)/t17-,19-,20+,22+,26+,27-,28+/m1/s1
InChIKey: OOXMSJIUFKXBFG-RYTWZWMPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1CC1CCC2O1

Scaffold Graph/Node level:
OC1CC2CCCC2C2C3CCC(CC12)O3

Scaffold Graph level:
CC1CC2CCCC2C2C3CCC(C3)CC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
cochlate a

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External chemical identifiers:
NPATLAS_NPA001132; CHEMSPIDER_32033782; ZINC_ZINC000169309813

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Chemical structure download