TIRUCALLA-5-24(24-1)-DIEN-3-BETA-OL,24-METHYL

Structure

2D structure of TIRUCALLA-5-24(24-1)-DIEN-3-BETA-OL,24-METHYL
2D structure
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3D model

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

Names and identifiers

Name

TIRUCALLA-5-24(24-1)-DIEN-3-BETA-OL,24-METHYL

IUPAC name

(3S,9S,10R,13S,14R,17S)-17-((S)-5,6-dimethylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES

C[C@@H](CCC(=C(C)C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

General information

Molecular formula

C31H52O

Molecular weight

440.76 g/mol

Monoisotopic mass

440.4018 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. root -
Akihisa, T., Kimura, Y., Kokke, W.C.M.C., Takase, S.I., Yasukawa, K., Tamura, T. (1996). Tirucalla-5,24-dien-3-beta-ol [(13-alpha,14-beta,17-alpha,20s)-lanosta-5,24-dien-3-beta-ol] and three other delta-5-unsaturated tirucallanes from the roots of Bryonia dioica jacq.: the first naturally occurring c-10 methylated tetracyclic triterpene J Chem Soc Perkin Trans I, 19, 2379-2384