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5-Benzoyl-4a-hydroxy-8a-methyl-6-propyl-octahydro-naphthalen-1-one
SpectraBase Compound ID 7aTABzj95ON
InChI InChI=1S/C21H28O3/c1-3-8-15-12-14-20(2)17(22)11-7-13-21(20,24)18(15)19(23)16-9-5-4-6-10-16/h4-6,9-10,15,18,24H,3,7-8,11-14H2,1-2H3/t15-,18-,20-,21+/m1/s1
InChIKey QOIPIVSFMBUTJF-SKBHOOIQSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eg5dzcgEo3f
Name 5-Benzoyl-4a-hydroxy-8a-methyl-6-propyl-octahydro-naphthalen-1-one
Alternate Name(s) (4aS,5S,6R,8aS)-5-benzoyl-4a-hydroxy-8a-methyl-6-propyloctahydronaphthalen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-3-8-15-12-14-20(2)17(22)11-7-13-21(20,24)18(15)19(23)16-9-5-4-6-10-16/h4-6,9-10,15,18,24H,3,7-8,11-14H2,1-2H3/t15-,18-,20-,21+/m1/s1
InChIKey QOIPIVSFMBUTJF-SKBHOOIQSA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 328.452 g/mol
SMILES O[C@]12[C@](C)(CC[C@]([C@@]1(C(=O)c1ccccc1)[H])(CCC)[H])C(CCC2)=O
SPLASH splash10-056r-3911000000-fdb2e3a93b1b11016671
Source of Spectrum A1-11-3778/SMS17-31
Wiley ID 1757208