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(R)-1-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-2-[(1R,2S)-1-hydroxy-2-(4-methoxy-benzyloxy)-propyl]-octan-1-one

View entire compound with spectra: 1 MS (GC)

(R)-1-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-2-[(1R,2S)-1-hydroxy-2-(4-methoxy-benzyloxy)-propyl]-octan-1-one
SpectraBase Compound ID GKATdNkDkHV
InChI InChI=1S/C29H45NO6S/c1-6-7-8-9-10-24(26(31)20(2)36-18-21-11-13-23(35-5)14-12-21)27(32)30-25-17-22-15-16-29(25,28(22,3)4)19-37(30,33)34/h11-14,20,22,24-26,31H,6-10,15-19H2,1-5H3/t20-,22+,24+,25?,26-,29+/m0/s1
InChIKey PGLBWHRANJYBKF-CNVHAFLVSA-N
Mol Weight 535.7 g/mol
Molecular Formula C29H45NO6S
Exact Mass 535.296759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74BYzUyEedT
Name (R)-1-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-2-[(1R,2S)-1-hydroxy-2-(4-methoxy-benzyloxy)-propyl]-octan-1-one
Alternate Name(s) 10,10-Dimethyl-4-(2-hexyl-3-hydroxy-4-(p-methoxybenzyloxy)-1-oxoxpentyl)-4-aza-5-thiatricyclo[5.2.1.0(3,7)]decane 5,5-dioxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45NO6S
InChI InChI=1S/C29H45NO6S/c1-6-7-8-9-10-24(26(31)20(2)36-18-21-11-13-23(35-5)14-12-21)27(32)30-25-17-22-15-16-29(25,28(22,3)4)19-37(30,33)34/h11-14,20,22,24-26,31H,6-10,15-19H2,1-5H3/t20-,22+,24+,25?,26-,29+/m0/s1
InChIKey PGLBWHRANJYBKF-CNVHAFLVSA-N
Molecular Weight 535.740 g/mol
SMILES O[C@]([C@](C(N1S(C[C@@]23C([C@](CC3)(CC12)[H])(C)C)(=O)=O)=O)(CCCCCC)[H])([C@@](OCc1ccc(cc1)OC)(C)[H])[H]
SPLASH splash10-00di-0900000000-ffdcca5bd2b965040c67
Source of Spectrum U1-2011-2724-2b
Wiley ID 1665414