Summary

Molecular formula: C40H48O8
SMILES: COC(=O)[C@@]12CC[C@H]([C@]3(C2)c2c(O1)ccc(c2c1c(O3)c(C/C=C(/COC(=O)C)CC/C=C(/CCC=C(C)C)C)cc(c1)O)O)C(=C)C
InChI: InChI=1S/C40H48O8/c1-24(2)10-8-11-26(5)12-9-13-28(22-46-27(6)41)14-15-29-20-30(42)21-31-35-33(43)16-17-34-36(35)40(48-37(29)31)23-39(47-34,38(44)45-7)19-18-32(40)25(3)4/h10,12,14,16-17,20-21,32,42-43H,3,8-9,11,13,15,18-19,22-23H2,1-2,4-7H3/b26-12+,28-14+/t32-,39-,40+/m0/s1
InChIKey: FENJYNMETQOACE-QCBQORQTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC13CCCC(C1)Oc1cccc-2c13

Scaffold Graph/Node level:
C1CCC2C(C1)OC13CCCC(C1)OC1CCCC2C13

Scaffold Graph level:
C1CCC2C(C1)CC13CCCC(CC4CCCC2C41)C3

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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:
cochlearoid a

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External chemical identifiers:
CID_122376974; NPATLAS_NPA007796; CHEMSPIDER_35143520

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Chemical structure download