CHEBI:67688 - (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one

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ChEBI Name (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
ChEBI ID CHEBI:67688
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 C22H32O5
Net Charge 0
Average Mass 376.48650
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(26-13(3)23)12(2)10-22(16,25)18(11)24/h9,12,14-17,19,25H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1
InChIKey UYGFMYCDFZUFFD-YCYMDWBLSA-N
SMILES C[C@H]1C[C@@]2(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one (CHEBI:67688) is a acetate ester (CHEBI:47622)
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one (CHEBI:67688) is a epoxide (CHEBI:32955)
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one (CHEBI:67688) is a lathyrane diterpenoid (CHEBI:85247)
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one (CHEBI:67688) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-4a-hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1b,2,3,4,4a,5,7a,8,8a,9,10,10a-dodecahydro-1aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-2-yl acetate
Registry Number Type Source
21556520 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21534583 PubMed citation Europe PMC
Last Modified
06 February 2018