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CHEBI:68863 - rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide

ChEBI IDCHEBI:68863
ChEBI Namerel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
Stars
ASCII Namerel-(-)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
DefinitionA cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a methoxy group at position 4. It has been isolated from the leaves of Croton gratissimus.
Last Modified30 September 2013
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@]12C=C(CC[C@H](C(C)C)/C=C/[C@](C)(OC)CC/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C21H32O3/c1-15(2)17-8-9-18-14-19(24-20(18)22)13-16(3)7-6-11-21(4,23-5)12-10-17/h7,10,12,14-15,17,19H,6,8-9,11,13H2,1-5H3/b12-10+,16-7+/t17-,19+,21+/m0/s1
InChIKeyZRACFAVCRYEYFL-SPRANPSHSA-N
Species of MetaboliteComponentSourceComments
Croton gratissimus (ncbitaxon:316784) leaf (BTO:0000713) PubMed (22032651) Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) has role metabolite (CHEBI:25212)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a cembrane diterpenoid (CHEBI:60687)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a diterpene lactone (CHEBI:49193)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a ether (CHEBI:25698)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a macrocycle (CHEBI:51026)
IUPAC Name 
(4R*,5E,7R*,10E,13R*)-7-methoxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
Citations