Summary

Molecular formula: C23H29ClO7
SMILES: OCC1=C[C@@H]2CC([C@@H]([C@@H]2[C@@]2([C@@]1(O)[C@H](OC(=O)c1c(O)cc(c(c1C)Cl)O)C2)C)O)(C)C
InChI: InChI=1S/C23H29ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,11,15,17,19,25-28,30H,7-9H2,1-4H3/t11-,15-,17-,19-,22-,23+/m1/s1
InChIKey: PBSFHHQIJGTBQH-NDVLAHOZSA-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 m

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External chemical identifiers:
CID_10766085; NPATLAS_NPA011333; CHEMSPIDER_8941403; ZINC_ZINC000034445678

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Chemical structure download