Secondary Metabolites Search

SOYASAPOGENOL-A

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Structure

2D structure of SOYASAPOGENOL-A
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12442849

Names and identifiers

Name

SOYASAPOGENOL-A

IUPAC name

(3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol

SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H]([C@H]5O)O)(C)C)C)C)C)(C)CO)O

General information

Molecular formula

C30H50O4

Molecular weight

474.73 g/mol

Monoisotopic mass

474.3709 Da

Classification

Pathway:
Terpenoids
Superclass:
Triterpenoids
Class:
Oleanane triterpenoids
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Medicago lupulina L. aerial parts -
Gorski, P.M., Jurzysta, M., Burda, S., Oleszek, W.A., Ploszynski, M. (1984). Studies on Medicago iupulina saponins. I. isolation and identification of sapogenins from M.iupulina tops. Acta Soc Bot Pol, 53(4), 515-525
Medicago sativa L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Medicago sativa L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.