Summary

Molecular formula: C23H30O7
SMILES: OCC1=C2[C@H](OC(=O)c3c(C)cc(c(c3O)O)O)C[C@@]2([C@@H]2[C@H]([C@@H]1O)CC(C2)(C)C)C
InChI: InChI=1S/C23H30O7/c1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,15,18,24-28H,6-9H2,1-4H3/t11-,13+,15-,18+,23-/m1/s1
InChIKey: PTVABGVMGJFKGM-GHEGTYFOSA-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:
judeol

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External chemical identifiers:
CID_185438; CAS_96571-13-0; NPATLAS_NPA015542; CHEMSPIDER_161213; ZINC_ZINC000006069746

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Chemical structure download