PORIFERASTA-7-25-DIEN-3-BETA-OL,4-4-DIMETHYL: (24S/BETA)

Structure

2D structure of PORIFERASTA-7-25-DIEN-3-BETA-OL,4-4-DIMETHYL: (24S/BETA)
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10670795

Names and identifiers

Name

PORIFERASTA-7-25-DIEN-3-BETA-OL,4-4-DIMETHYL: (24S/BETA)

IUPAC name

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

SMILES

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