ERGOSTA-7-22-DIENE-3-BETA-5-ALPHA-6-BETA-TRIOL

Structure

2D structure of ERGOSTA-7-22-DIENE-3-BETA-5-ALPHA-6-BETA-TRIOL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12302764

Names and identifiers

Name

ERGOSTA-7-22-DIENE-3-BETA-5-ALPHA-6-BETA-TRIOL

IUPAC name

(3S,5R,6R,9S,10R,13R,14R,17R)-17-((2R,5S,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,9,10,11,12,13,14,15,16,17-tetradecahydro-5H-cyclopenta[a]phenanthrene-3,5,6-triol

SMILES

C[C@H](/C=C/[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

General information

Molecular formula

C28H46O3

Molecular weight

430.67 g/mol

Monoisotopic mass

430.3447 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Linaria vulgaris Mill. subsp. vulgaris - -
Hua, H., Li, X., Zhang, H.Q. (2000). Steroids from Linaria vulgaris Mill. Shenyang Yaoxueyuan Xuebao, 17(1), 40-42