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

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ChEBI Name (−)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one
ChEBI ID CHEBI:67687
ChEBI ASCII Name (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one
Definition A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H34O6
Net Charge 0
Average Mass 418.52320
Monoisotopic Mass 418.23554
InChI InChI=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
InChIKey JWKHZEAVVLNPDQ-VAMLIGRCSA-N
SMILES C[C@H]1C[C@@]2(OC(C)=O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(C)=O
Metabolite of Species Details
Euphorbia micractina (IPNI:347344-1) Found in root (BTO:0001188). Ethanolic extract of roots See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via lathyrane diterpenoid )
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ChEBI Ontology
Outgoing (−)-(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 Number Type Source
21556521 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21534583 PubMed citation Europe PMC
Last Modified
17 March 2015