Summary

Molecular formula: C24H36O6
SMILES: COC1=C(OC)C(=O)[C@@H]([C@H]([C@H]1O)C/C=C(/CC/C=C(/CC1OC(=O)[C@H](C1)C)C)C)C
InChI: InChI=1S/C24H36O6/c1-14(8-7-9-15(2)12-18-13-16(3)24(27)30-18)10-11-19-17(4)20(25)22(28-5)23(29-6)21(19)26/h9-10,16-19,21,26H,7-8,11-13H2,1-6H3/b14-10+,15-9+/t16-,17+,18?,19+,21+/m0/s1
InChIKey: DBMARRQLSJJYJE-JJLRARDYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC(CC=CCCC=CCC2CCC(=O)O2)C1

Scaffold Graph/Node level:
OC1CCCC(CCCCCCCCC2CCC(O)O2)C1

Scaffold Graph level:
CC1CCCC(CCCCCCCCC2CCC(C)C2)C1

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Chemical classification

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

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Synonymous chemical names:
antroquinonol b

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External chemical identifiers:
CID_132516015; CHEMSPIDER_28286312

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Chemical structure download