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CHEBI:67310 - 2',3'-dihydrosalannin

ChEBI IDCHEBI:67310
ChEBI Name2',3'-dihydrosalannin
Stars
DefinitionA limonoid that is the 2',3'-dihydro derivative of salannin. It has been isolated from Azadirachta indica.
Last Modified3 March 2015
DownloadsMolfile
FormulaC34H46O9
Net Charge0
Average Mass598.733
Monoisotopic Mass598.31418
SMILES[H][C@]12OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)C(C)CC)[C@](C)([C@@H](CC(=O)OC)[C@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@]5([H])O[C@]14[H])[C@@]23[H]
InChIInChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h10-11,15,17,21-25,28-30H,9,12-14,16H2,1-8H3/t17?,21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
InChIKeySIEHUSRDVBNRGT-GRBUMBGESA-N
Species of MetaboliteComponentSourceComments
Azadirachta indica (ncbitaxon:124943) seed (BTO:0001226) PubMed (21381696) n-Hexane extract of seeds
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)
2',3'-dihydrosalannin (CHEBI:67310) has functional parent salannin (CHEBI:67309)
2',3'-dihydrosalannin (CHEBI:67310) has role plant metabolite (CHEBI:76924)
2',3'-dihydrosalannin (CHEBI:67310) is a acetate ester (CHEBI:47622)
2',3'-dihydrosalannin (CHEBI:67310) is a furans (CHEBI:24129)
2',3'-dihydrosalannin (CHEBI:67310) is a limonoid (CHEBI:39434)
2',3'-dihydrosalannin (CHEBI:67310) is a methyl ester (CHEBI:25248)
2',3'-dihydrosalannin (CHEBI:67310) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-(acetyloxy)-8-(furan-3-yl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl 2-methylbutanoate
Registry NumbersSources
Reaxys:21448583Reaxys
Citations