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(1'S,2'S,4a'R,8'S,8a'S)-3-(8'-Hydroxy-2'-methyl-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'yl)propyl (R)-O-methylmandelate

View entire compound with spectra: 1 MS (GC)

(1'S,2'S,4a'R,8'S,8a'S)-3-(8'-Hydroxy-2'-methyl-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'yl)propyl (R)-O-methylmandelate
SpectraBase Compound ID F3vitmjmfnq
InChI InChI=1S/C23H32O4/c1-16-13-14-17-10-6-12-20(24)21(17)19(16)11-7-15-27-23(25)22(26-2)18-8-4-3-5-9-18/h3-5,8-9,13-14,16-17,19-22,24H,6-7,10-12,15H2,1-2H3/t16-,17+,19-,20-,21-,22+/m0/s1
InChIKey BSLSTBYXTKVFAL-KQXGTCBSSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBRU9eFogg7
Name (1'S,2'S,4a'R,8'S,8a'S)-3-(8'-Hydroxy-2'-methyl-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'yl)propyl (R)-O-methylmandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-16-13-14-17-10-6-12-20(24)21(17)19(16)11-7-15-27-23(25)22(26-2)18-8-4-3-5-9-18/h3-5,8-9,13-14,16-17,19-22,24H,6-7,10-12,15H2,1-2H3/t16-,17+,19-,20-,21-,22+/m0/s1
InChIKey BSLSTBYXTKVFAL-KQXGTCBSSA-N
Molecular Weight 372.505 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@](C)(C=C[C@]2(CCC1)[H])[H])(CCCOC([C@@](c1ccccc1)(OC)[H])=O)[H])[H])[H]
SPLASH splash10-00di-0901000000-07c2067d6f77851c44e9
Source of Spectrum KC-0-2428-48
Synonyms 3-[(1S,2S,4aR,8S,8aR)-8-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]propyl (2R)-methoxy(phenyl)ethanoate
Wiley ID 781870