INTEGRISTERONE A,5-ALPHA-2-DEOXY

Structure

2D structure of INTEGRISTERONE A,5-ALPHA-2-DEOXY
2D structure
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3D model

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

Names and identifiers

Name

INTEGRISTERONE A,5-ALPHA-2-DEOXY

Also reported as

INTEGRISTERONE A,5-BETA-2-DEOXY

IUPAC name

(1S,2R,9R,10R,13R,14S,17S)-1,2,14-trihydroxy-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@]34CC[C@H]1C(=CC(=O)C2([H])[C@@]1([C@@H]([C@@H](C([H])C2)O)O)C)[C@@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O

General information

Molecular formula

C27H44O7

Molecular weight

480.64 g/mol

Monoisotopic mass

480.3087 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 -
Bathori, M., Kalasz, H., Pongracz, Z., Mathe, I., Kalman, A., Argay, G. (2002). 5-alpha- and 5-beta-2-deoxyintegristerone a, a 5-alpha and 5-beta isomer pair of ecdysteroids isolated from the Silene genus. Biomed Chromatogr, 16(6), 373-378 doi:10.1002/bmc.168