| SpectraBase Spectrum ID |
5PePud9KI7q |
| Name |
Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-y l ester, [3aS-[3a.alpha.,4.alpha.(R*),5.beta.,7.beta.,7a.alpha.]]- |
| Alternate Name(s) |
(1'S,1R,2R,3S,4S,6R)-2,6-Dimethyl-3-((((1-phenylethyl)amino)-carbonyl)oxy)-4-(phenylsulfonyl)cyclohexane-1,2-diol 1,2-acetonide
(1'S,1S,2S,3R,4R,6S)-2,6-Dimethyl-3-9(((1'-phenylethyl)amino)-carbonyl)oxy)-4-(phenylsulfonyl)cyclohexane-1,2-diol 1,2-acetonide
(3aS,4R,5R,7S,7aS)-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)hexahydro-1,3-benzodioxol-4-yl (1S)-1-phenylethylcarbamate |
| CAS Registry Number |
82769-86-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H33NO6S |
| InChI |
InChI=1S/C26H33NO6S/c1-17-16-21(34(29,30)20-14-10-7-11-15-20)23(26(5)22(17)32-25(3,4)33-26)31-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)/t17-,18-,21+,22-,23-,26-/m0/s1 |
| InChIKey |
FGVRZJLFCPOKGY-LUTWMDISSA-N |
| Molecular Weight |
487.611 g/mol |
| SMILES |
N(C(O[C@]1([C@](S(=O)(=O)c2ccccc2)(C[C@@]([C@]2([C@@]1(OC(C)(C)O2)C)[H])(C)[H])[H])[H])=O)[C@](c1ccccc1)(C)[H] |
| SPLASH |
splash10-0a4i-0900000000-7f16c8bdb08312088e77 |
| Source of Spectrum |
C-104-5736-0 |
| Wiley ID |
1396699 |
![Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-y l ester, [3aS-[3a.alpha.,4.alpha.(R*),5.beta.,7.beta.,7a.alpha.]]-](/api/spectrum/5PePud9KI7q/structure.png?h=300&w=458 "Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-y l ester, [3aS-[3a.alpha.,4.alpha.(R*),5.beta.,7.beta.,7a.alpha.]]-")
