Summary

Molecular formula: C23H28O6
SMILES: O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(O)[C@H](OC(=O)c1c(C)cc(cc1O)O)C2)C)(C)C
InChI: InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1
InChIKey: SJZRUQOYQZRISL-IDOJSZHESA-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:
melleolide

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External chemical identifiers:
CID_158276; CAS_82869-08-7; NPATLAS_NPA005295; CHEMSPIDER_139258; ZINC_ZINC000006069950

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Chemical structure download