ALLO-BETULIN

Structure

2D structure of ALLO-BETULIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11080733

Names and identifiers

Name

ALLO-BETULIN

IUPAC name

(1R,4aR,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-ol

SMILES

C[C@]1([C@@H]2OC[C@@]3([C@H]2[C@@H]4[C@@](CC3)([C@]5([C@@H]([C@@]6([C@H]([C@@]([C@H](CC6)O)(C)C)CC5)C)CC4)C)C)CC1)C

General information

Molecular formula

C30H50O2

Molecular weight

442.73 g/mol

Monoisotopic mass

442.3811 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Juniperus communis L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Juniperus communis L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Juniperus communis L. stem -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.