Summary

Molecular formula: C26H38O7
SMILES: COC1=C(OC)C(=O)[C@H]([C@H]([C@H]1OC(=O)C)C/C=C(/CC/C=C(/CC1OC(=O)C(C1)C)C)C)C
InChI: InChI=1S/C26H38O7/c1-15(9-8-10-16(2)13-20-14-17(3)26(29)33-20)11-12-21-18(4)22(28)24(30-6)25(31-7)23(21)32-19(5)27/h10-11,17-18,20-21,23H,8-9,12-14H2,1-7H3/b15-11+,16-10+/t17?,18?,20?,21-,23-/m1/s1
InChIKey: XXAVUEUAHANHQA-POSQGGERSA-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:
4-acetyantroquinonol b, 4-acetylantroquinonol b

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External chemical identifiers:
CID_53233421; CAS_1187652-02-3; CHEMSPIDER_58827789

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Chemical structure download