CASTASTERONE

Structure

2D structure of CASTASTERONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 133534

Names and identifiers

Name

CASTASTERONE

IUPAC name

(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-((2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-2,3-dihydroxy-10,13-dimethylhexadecahydro-6H-cyclopenta[a]phenanthren-6-one

SMILES

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

General information

Molecular formula

C28H48O5

Molecular weight

464.69 g/mol

Monoisotopic mass

464.3502 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Alnus glutinosa (L.) Gaertn. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Arabidopsis thaliana (L.) Heynh. fruit -
Fujioka, S., Noguchi, T., Yakota, T., Takatsuto, S., Yoshida, S. (1998). Brassinosteroids in Arabidopsis thaliana. Phytochemistry, 48(4), 595-599 doi:10.1016/s0031-9422(98)00065-x
Arabidopsis thaliana (L.) Heynh. seed -
Fujioka, S., Noguchi, T., Sekimoto, M., Takatsuto, S., Yoshida, S. (2000). 28-norcastasterone is biosynthesized from castasterone. Phytochemistry, 55(2), 97-101 doi:10.1016/s0031-9422(00)00261-2
Arabidopsis thaliana (L.) Heynh. seed -
Fujioka, S., Noguchi, T., Yakota, T., Takatsuto, S., Yoshida, S. (1998). Brassinosteroids in Arabidopsis thaliana. Phytochemistry, 48(4), 595-599 doi:10.1016/s0031-9422(98)00065-x
Arabidopsis thaliana (L.) Heynh. seed -
Schmidt, J., Altmann, T., Adam, G. (1997). Brassinosteroids from seeds of Arabidopsis thaliana. Phytochemistry, 45(7), 1325-1327 doi:10.1016/s0031-9422(97)00177-5
Equisetum arvense L. flower -
Jim Duke's personal files.