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(1'S,2'S,4a'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-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'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'-yl)propyl (R)-O-methylmandelate
SpectraBase Compound ID 6QEctHNSQpP
InChI InChI=1S/C28H40O5/c1-5-19(2)27(29)33-24-15-9-13-21-17-16-20(3)23(25(21)24)14-10-18-32-28(30)26(31-4)22-11-7-6-8-12-22/h6-8,11-12,16-17,19-21,23-26H,5,9-10,13-15,18H2,1-4H3/t19-,20-,21+,23-,24-,25-,26+/m0/s1
InChIKey WANNMJSNTYFIRG-XXVDCCPKSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ngPFZLs8Av
Name (1'S,2'S,4a'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-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 C28H40O5
InChI InChI=1S/C28H40O5/c1-5-19(2)27(29)33-24-15-9-13-21-17-16-20(3)23(25(21)24)14-10-18-32-28(30)26(31-4)22-11-7-6-8-12-22/h6-8,11-12,16-17,19-21,23-26H,5,9-10,13-15,18H2,1-4H3/t19-,20-,21+,23-,24-,25-,26+/m0/s1
InChIKey WANNMJSNTYFIRG-XXVDCCPKSA-N
Molecular Weight 456.623 g/mol
SMILES [C@@]1([C@@]2([C@]([C@@](C)(C=C[C@]2(CCC1)[H])[H])(CCCOC([C@@](c1ccccc1)(OC)[H])=O)[H])[H])(OC(=O)[C@](CC)(C)[H])[H]
SPLASH splash10-00di-1900000000-0e6c9128bf3bce5967e3
Source of Spectrum KC-0-2428-50
Wiley ID 781869