Summary

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

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External chemical identifiers:
NPATLAS_NPA016538; CHEMSPIDER_78441403

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Chemical structure download