CHEBI:67310 - 2ʼ,3ʼ-dihydrosalannin

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ChEBI Name 2ʼ,3ʼ-dihydrosalannin
ChEBI ID CHEBI:67310
ChEBI ASCII Name 2',3'-dihydrosalannin
Definition A limonoid that is the 2ʼ,3ʼ-dihydro derivative of salannin. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H46O9
Net Charge 0
Average Mass 598.72360
Monoisotopic Mass 598.31418
InChI InChI=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
InChIKey SIEHUSRDVBNRGT-GRBUMBGESA-N
SMILES CCC(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@H]23
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). n-Hexane extract of seeds 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) has functional parent salannin (CHEBI:67309)
2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) has role plant metabolite (CHEBI:76924)
2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) is a acetate ester (CHEBI:47622)
2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) is a furans (CHEBI:24129)
2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) is a limonoid (CHEBI:39434)
2ʼ,3ʼ-dihydrosalannin (CHEBI:67310) is a methyl ester (CHEBI:25248)
2ʼ,3ʼ-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-bʼcʼ]difuran-5-yl 2-methylbutanoate
Registry Number Type Source
21448583 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
03 March 2015