STIGMAST-4-ENE-3,6-DIONE

Structure

2D structure of STIGMAST-4-ENE-3,6-DIONE
2D structure
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3D model

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

Names and identifiers

Name

STIGMAST-4-ENE-3,6-DIONE

IUPAC name

(9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC(C4=CC(CC[C@]34C)=O)=O)C)C(C)C

General information

Molecular formula

C29H46O2

Molecular weight

426.69 g/mol

Monoisotopic mass

426.3498 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Echium vulgare L. subsp. vulgare root -
Pardo, F., Perich, F., Torres, R., Monache, F.D. (2000). Stigmast-4-ene-3,6-dione an unusual phytotoxic sterone from the roots of Echium vulgare L. Biochem Syst Ecol, 28(9), 911-913 doi:10.1016/s0305-1978(00)00010-7
Typha latifolia L. - -
Dellagreca, M., Monaco, P., Previtera, L. (1990). Stigmasterols from Typha latifolia. J Nat Prod, 53(6), 1430-1435 doi:10.1021/np50072a005