Secondary Metabolites Search

OBTUSIFOLIOL ACETATE

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Structure

2D structure of OBTUSIFOLIOL ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 91746820

Names and identifiers

Name

OBTUSIFOLIOL ACETATE

IUPAC name

(3S,4S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

SMILES

C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C)C)OC(=O)C

General information

Molecular formula

C32H52O2

Molecular weight

468.77 g/mol

Monoisotopic mass

468.3967 Da

Classification

Pathway:
Terpenoids
Superclass:
Steroids
Class:
Ergostane steroids
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. aerial parts -
Akihisa, T., Kimura, Y., Koike, K., Kokke, W.C.M.C., Nikaido, T., Tamura, T. (1998). Cycloartane triterpenoids from the aerial part of Bryonia dioica. Phytochemistry, 49(6), 1757-1760 doi:10.1016/s0031-9422(98)00287-8