STIGMAST-4-EN-3-ONE

Structure

2D structure of STIGMAST-4-EN-3-ONE
2D structure
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3D model

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

Names and identifiers

Name

STIGMAST-4-EN-3-ONE

IUPAC name

(9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CCC4=CC(CC[C@]34C)=O)C)C(C)C

General information

Molecular formula

C29H48O

Molecular weight

412.70 g/mol

Monoisotopic mass

412.3705 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Typha latifolia L. - -
Dellagreca, M., Monaco, P., Previtera, L. (1990). Stigmasterols from Typha latifolia. J Nat Prod, 53(6), 1430-1435 doi:10.1021/np50072a005
Urtica dioica L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.