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CHEBI:67687 - (−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one

ChEBI IDCHEBI:67687
ChEBI Name(−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one
Stars
ASCII Name(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified17 March 2015
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILES[H][C@]12O[C@]1(C)CC[C@]1([H])C(C)(C)[C@]1([H])/C=C(\C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@]21[H]
InChIInChI=1S/C24H34O6/c1-12-10-17-16(22(17,5)6)8-9-23(7)21(30-23)18-19(28-14(3)25)13(2)11-24(18,20(12)27)29-15(4)26/h10,13,16-19,21H,8-9,11H2,1-7H3/b12-10+/t13-,16-,17+,18+,19-,21+,23+,24+/m0/s1
InChIKeyJWKHZEAVVLNPDQ-VAMLIGRCSA-N
Species of MetaboliteComponentSourceComments
Euphorbia micractina (IPNI:347344-1) root (BTO:0001188) PubMed (21534583) Ethanolic extract of roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one (CHEBI:67687) is a acetate ester (CHEBI:47622)
(−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one (CHEBI:67687) is a epoxide (CHEBI:32955)
(−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one (CHEBI:67687) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name 
(1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-3,6,8,8,10a-pentamethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxirene-2,4a-diyl diacetate
Registry NumbersSources
Reaxys:21556521Reaxys
Citations