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

*Links on SpectraBase are not permalinks.
[1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.,(3S*,4S*)]]-octahydro-7a-methyl-1-[1-methyl-2-[4-[[[(4-methylphenyl)sulfonyl]oxy]-methyl]-2,5,5-trimethyl-3-isoxazolidinyl]ethyl]inden-4-ol
SpectraBase Compound ID 4u9mdQyB6Pe
InChI InChI=1S/C27H43NO5S/c1-18-9-11-20(12-10-18)34(30,31)32-17-23-24(28(6)33-26(23,3)4)16-19(2)21-13-14-22-25(29)8-7-15-27(21,22)5/h9-12,19,21-25,29H,7-8,13-17H2,1-6H3/t19?,21-,22+,23?,24+,25+,27-/m1/s1
InChIKey MNZCYESKAZAOMB-RUFYYNMKSA-N
Mol Weight 493.7 g/mol
Molecular Formula C27H43NO5S
Exact Mass 493.286195 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 EWAt6v16MXy
Name [1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.,(3S*,4S*)]]-octahydro-7a-methyl-1-[1-methyl-2-[4-[[[(4-methylphenyl)sulfonyl]oxy]-methyl]-2,5,5-trimethyl-3-isoxazolidinyl]ethyl]inden-4-ol
CAS Registry Number 95716-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO5S
InChI InChI=1S/C27H43NO5S/c1-18-9-11-20(12-10-18)34(30,31)32-17-23-24(28(6)33-26(23,3)4)16-19(2)21-13-14-22-25(29)8-7-15-27(21,22)5/h9-12,19,21-25,29H,7-8,13-17H2,1-6H3/t19?,21-,22+,23?,24+,25+,27-/m1/s1
InChIKey MNZCYESKAZAOMB-RUFYYNMKSA-N
Molecular Weight 493.703 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@@](C(C[C@@]3(N(C)OC(C3COS(c3ccc(cc3)C)(=O)=O)(C)C)[H])C)(CC2)[H])(CCC1)C)[H])[H]
SPLASH splash10-002b-0490100000-905ed817848034c0ee2d
Source of Spectrum J-51-3107-40
Wiley ID 1397733