TRICYCLODEHYDROISOHUMULONE

Structure

2D structure of TRICYCLODEHYDROISOHUMULONE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442926

Names and identifiers

Name

TRICYCLODEHYDROISOHUMULONE

IUPAC name

(3aS,5aR,7R,8aS)-1,3a-dihydroxy-6,6-dimethyl-2-(3-methylbutanoyl)-7-(prop-1-en-2-yl)-5a,6,7,8-tetrahydrocyclopenta[c]pentalene-3,4(3aH,5H)-dione

SMILES

CC(C)CC(=O)C1=C([C@]23C[C@@H](C([C@H]2CC(=O)[C@@]3(C1=O)O)(C)C)C(=C)C)O

General information

Molecular formula

C21H28O5

Molecular weight

360.45 g/mol

Monoisotopic mass

360.1937 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. fruit -
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.