Summary

Molecular formula: C24H31ClO6
SMILES: OCC1=C2[C@H](OC(=O)c3c(O)cc(c(c3C)Cl)OC)C[C@@]2([C@@H]2[C@H]([C@@H]1O)CC(C2)(C)C)C
InChI: InChI=1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1
InChIKey: OMAGQTXDHXASNM-RNNQDMPLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CC2C1=CCC1CCCC12)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:
arnamiol, melleolide q

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External chemical identifiers:
CID_71317588; CAS_102092-23-9; NPATLAS_NPA006023; CHEMSPIDER_78440931

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Chemical structure download