| SpectraBase Spectrum ID |
GI4ohupwU8A |
| Name |
2,2,4,4-Tetradeutero-etiocholanolone 16-enol, O,O'-bis-TBS |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
522.422641159 u |
| Formula |
C31H54[2H]4O2Si2 |
| InChI |
InChI=1S/C31H58O2Si2/c1-28(2,3)34(9,10)32-23-17-19-30(7)22(21-23)13-14-24-25-15-16-27(31(25,8)20-18-26(24)30)33-35(11,12)29(4,5)6/h16,22-26H,13-15,17-21H2,1-12H3/t22-,23-,24?,25?,26?,30+,31+/m1/s1/i17D2,21D2 |
| InChIKey |
CLHFTFZHTPFECO-UXLWKWMHSA-N |
| Molecular Weight |
522.997 g/mol |
| Nominal Mass |
522 u |
| Number of Peaks |
44 |
| SMILES |
CC(C)(C)[Si](O[C@]1(C([2H])([2H])[C@@]2([H])CCC3C4CC=C(O[Si](C)(C)C(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1([2H])[2H])[H])(C)C |
| SPLASH |
splash10-014i-5222920000-c3691a497ae7ee9bcc16 |
| Source File Reference |
DSHS_50_0947 |
| Source of Spectrum |
Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany |
| Wiley ID |
50_947 |
