For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,2S,4S,5S)-5-Methyl-1-{4-(benzyloxy)-5-[(benzyloxy)methyl]-6-thiabicyclo[3.1.0]hex-2-yl}-3-(benzoyl)-1,3-dihydropyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

(1R,2S,4S,5S)-5-Methyl-1-{4-(benzyloxy)-5-[(benzyloxy)methyl]-6-thiabicyclo[3.1.0]hex-2-yl}-3-(benzoyl)-1,3-dihydropyrimidine-2,4-dione
SpectraBase Compound ID EKrEfVN446F
InChI InChI=1S/C32H30N2O5S/c1-22-18-33(31(37)34(29(22)35)30(36)25-15-9-4-10-16-25)26-17-27(39-20-24-13-7-3-8-14-24)32(28(26)40-32)21-38-19-23-11-5-2-6-12-23/h2-16,18,26-28H,17,19-21H2,1H3/t26-,27-,28+,32-/m0/s1
InChIKey ZABAECNRAJQMOP-PJGOFDOSSA-N
Mol Weight 554.7 g/mol
Molecular Formula C32H30N2O5S
Exact Mass 554.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JSGqBDRUwi4
Name (1R,2S,4S,5S)-5-Methyl-1-{4-(benzyloxy)-5-[(benzyloxy)methyl]-6-thiabicyclo[3.1.0]hex-2-yl}-3-(benzoyl)-1,3-dihydropyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30N2O5S
InChI InChI=1S/C32H30N2O5S/c1-22-18-33(31(37)34(29(22)35)30(36)25-15-9-4-10-16-25)26-17-27(39-20-24-13-7-3-8-14-24)32(28(26)40-32)21-38-19-23-11-5-2-6-12-23/h2-16,18,26-28H,17,19-21H2,1H3/t26-,27-,28+,32-/m0/s1
InChIKey ZABAECNRAJQMOP-PJGOFDOSSA-N
Molecular Weight 554.661 g/mol
SMILES C1(N(C(C(=CN1[C@@]1([C@@]2([C@](COCc3ccccc3)([C@](C1)(OCc1ccccc1)[H])S2)[H])[H])C)=O)C(=O)c1ccccc1)=O
SPLASH splash10-0a59-0921200000-6d78582130f928b9a40e
Source of Spectrum F-66-3336-32
Wiley ID 1683038