BETA-ECDYSONE 22-DEOXY

Structure

2D structure of BETA-ECDYSONE 22-DEOXY
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 115127

Names and identifiers

Name

BETA-ECDYSONE 22-DEOXY

Also reported as

PONASTERONE A

IUPAC name

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

SMILES

C[C@]34CC[C@H]1C(=CC(=O)[C@H]2[C@@]1(C[C@@H]([C@@H](C2)O)O)C)[C@@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)C)O)O)O

General information

Molecular formula

C27H44O6

Molecular weight

464.64 g/mol

Monoisotopic mass

464.3138 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Silene italica (L.) Pers. subsp. italica aerial parts -
Meng, Y.H., Whiting, P., Zibareva, L., Bertho, G., Girault, J.P., Lafont, R., Dinan, L. (2001). Identification and quantitative analysis of the phytoecdysteroids in Silene species (Caryophyllaceae) by high-performance liquid chromatography. novel ecdysteroids from S.pseudotites. J Chromatogr A, 935(1/2), 309-319 doi:10.1016/s0021-9673(01)00893-7
Silene nutans L. subsp. nutans aerial parts -
Baltaev, U., Rashkes, Y.V., Darmograi, V.N., Belov, Y.P., Abubakirov, N.K. (1985). Phytoecdysteroids of Silene nutans. ii. 22-deoxyecdysterone and features of its mass spectrum. Chem Nat Comp, 21(1), 59-62 doi:10.1007/bf00574250