| SpectraBase Spectrum ID |
1NbKpXqSXQD |
| Name |
tert-Butyl((((1S,2R,3aS,5R,6aS)-2-((tert-butyldimethylsilyl)oxy)-5-((N-methyl-phenylsulfonimidoyl)methyl)octahydropentalen-1-yl)-methoxy)dimethylsilane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
551.328468812 u |
| Formula |
C29H53NO3SSi2 |
| InChI |
InChI=1S/C29H53NO3SSi2/c1-28(2,3)35(8,9)32-20-26-25-18-22(21-34(31,30-7)24-15-13-12-14-16-24)17-23(25)19-27(26)33-36(10,11)29(4,5)6/h12-16,22-23,25-27H,17-21H2,1-11H3/t22-,23+,25+,26-,27-,34-/m1/s1 |
| InChIKey |
XSPIKBNYSRBENP-GRRRRFHBSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901163 |
| Molecular Weight |
551.977 g/mol |
| Optical Rotation |
[a]20 = -141.6 (365nm) (c = 0.30, acetone) |
| Quality |
121 |
| Reported Formula |
C29H53NO3SSi2 |
| SMILES |
[C@@]1(O[Si](C)(C)C(C)(C)C)([C@@]([C@]2(C[C@@](C[C@]2(C1)[H])(C[S@@](C1=CC=CC=C1)(=NC)=O)[H])[H])(CO[Si](C)(C)C(C)(C)C)[H])[H] |
| SPLASH |
splash10-053v-1920100000-129b95120a1809e25ac7 |
| Sample Comments |
dr >/= 99:1 |
| Source of Spectrum |
QE-25-SM8-(R)-16 (DOI: 10.1002/chem.201901163) |
| Wiley ID |
1893730 |
