ECDYSONE,2-DEOXY: 20-HYDROXY

Structure

2D structure of ECDYSONE,2-DEOXY: 20-HYDROXY
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 9912297

Names and identifiers

Name

ECDYSONE,2-DEOXY: 20-HYDROXY

IUPAC name

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

SMILES

C[C@@]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)([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