Summary

Molecular formula: C24H30O6
SMILES: O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(OC)[C@H](OC(=O)c1c(C)cc(cc1O)O)C2)C)(C)C
InChI: InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1
InChIKey: GYCBSZGIYPNYAB-GNMVUSIZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CC2C1C=CC1CCCC12)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CC2C3CCCC3CCC12)C1CCCCC1

Scaffold Graph level:
CC(CC1CC2C3CCCC3CCC12)C1CCCCC1

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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:
4-o-methylmelleolide

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External chemical identifiers:
CID_180718; CAS_96627-13-3; NPATLAS_NPA001491; CHEMSPIDER_35014355; ZINC_ZINC000006069952

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Chemical structure download