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CHEBI:179064 - Isomultiflorenyl acetate

ChEBI IDCHEBI:179064
ChEBI NameIsomultiflorenyl acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILES[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3
InChIInChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24?,25-,26+,29-,30-,31-,32+/m1/s1
InChIKeyIQPSCJJRYFMIOC-VVFZLFBHSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomultiflorenyl acetate (CHEBI:179064) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(3S,6aS,6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] acetate
Manual XrefsDatabases
28945036ChemSpider
HMDB0038062HMDB