Summary

Molecular formula: C19H26O4
SMILES: C/C=CC(=O)O[C@@H]1C[C@@H]2[C@]3([C@@]1(C)[C@@]1(C)CCC(=C[C@H]1O2)C)CO3
InChI: InChI=1S/C19H26O4/c1-5-6-16(20)23-14-10-15-19(11-21-19)18(14,4)17(3)8-7-12(2)9-13(17)22-15/h5-6,9,13-15H,7-8,10-11H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKey: RBFUHBMJPDGPAT-HULHSAFCSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OC3CCC(C2CC1)C31CO1

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCC2C12CO2

Scaffold Graph level:
C1CCC2C(C1)CC1CCC2C12CC2

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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:
8-deoxytrichothecin

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External chemical identifiers:
CID_70690346; CAS_117831-27-3; ZINC_ZINC000084759164

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Chemical structure download