SPINASTEROL

Structure

2D structure of SPINASTEROL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281331

Names and identifiers

Name

SPINASTEROL

IUPAC name

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

SMILES

O[C@H]1CC[C@@]2([C@@H]3\C(=C/C[C@H]2C1)[C@@H]4CC[C@H]([C@@H](/C=C/[C@@H](CC)C(C)C)C)[C@]4(CC3)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
Bryonia dioica Jacq. root -
Akihisa, T., Kimura, Y., Kokke, W.C.M.C., Itoh, T., Tamura, T. (1996). Eight novel sterols from the roots of Bryonia dioica jacq. Chem Pharm Bull, 44(6), 1202-1207 doi:10.1248/cpb.44.1202
Chelidonium majus L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Saponaria officinalis L. cell culture -
Henrym, Chantalat-dublanche, I. (1985). Isolation of spinasterol and its glucoside from cell suspension cultures of Saponaria officinalis: 13-c-nmr spectral data and batch culture production. Planta Med, 51(4), 322-325 doi:10.1055/s-2007-969502