CHEBI:179064 - Isomultiflorenyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isomultiflorenyl acetate
ChEBI ID CHEBI:179064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H52O2
Net Charge 0
Average Mass 468.766
Monoisotopic Mass 468.39673
InChI InChI=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
InChIKey IQPSCJJRYFMIOC-VVFZLFBHSA-N
SMILES O([C@@H]1C(C2[C@@](C3=C([C@@]4([C@]([C@]5([C@@](CC4)(CCC(C5)(C)C)C)[H])(CC3)C)C)CC2)(CC1)C)(C)C)C(=O)C
ChEBI Ontology
Outgoing 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 Xrefs Databases
28945036 ChemSpider
HMDB0038062 HMDB
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