BETA-ECDYSONE 2-DEOXY: 22-O-BENZOATE

Structure

2D structure of BETA-ECDYSONE 2-DEOXY: 22-O-BENZOATE
2D structure
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3D model

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

Names and identifiers

Name

BETA-ECDYSONE 2-DEOXY: 22-O-BENZOATE

IUPAC name

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

SMILES

C[C@]34CC[C@H]1C(=CC(=O)[C@H]2[C@@]1(CC[C@@H](C2)O)C)[C@@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)OC(C5=CC=CC=C5)=O)O)O)O

General information

Molecular formula

C34H48O7

Molecular weight

568.75 g/mol

Monoisotopic mass

568.3400 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Silene nutans L. subsp. nutans aerial parts -
Ramazanov, N.S., Sultanov, S.A., Saatov, Z., Nigmatullaev, A.M. (1997). Phytoecdysteroids of plants of the Silene genus and the dynamics of their accumulation. Chem Nat Comp, 33(5), 558-562 doi:10.1007/bf02254804