Summary

Molecular formula: C18H30O7
SMILES: COC(=O)[C@H]1[C@H](C)C[C@@H]([C@@H]2[C@@]1(O)[C@@](C)(CO)[C@@H](C2(C)C)OC(=O)C)O
InChI: InChI=1S/C18H30O7/c1-9-7-11(21)13-16(3,4)15(25-10(2)20)17(5,8-19)18(13,23)12(9)14(22)24-6/h9,11-13,15,19,21,23H,7-8H2,1-6H3/t9-,11+,12-,13+,15-,17+,18-/m1/s1
InChIKey: LKOUBWVSURQBDA-WTXGEHBBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

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

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Synonymous chemical names:
methyl 7alpha-acetoxydeacetylbotryoloate

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External chemical identifiers:
CID_102034771; NPATLAS_NPA013305; CHEMSPIDER_78441262

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Chemical structure download