| SpectraBase Spectrum ID |
CvzKwteM6gp |
| Name |
3-TBDMS-16,17-(TFA)2 of e-3,16.alpha.,17.beta.-triol |
| Alternate Name(s) |
(16alpha,17alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-16-[(trifluoroacetyl)oxy]estra-1,3,5(10)-trien-17-yl trifluoroacetate
3-[(t-butyl)dimethylsilyloxy]-16.alpha.,17.beta.-bis(trifluoroacetyl)-1,3,5(10)-estratriene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36F6O5Si |
| InChI |
InChI=1S/C28H36F6O5Si/c1-25(2,3)40(5,6)39-16-8-10-17-15(13-16)7-9-19-18(17)11-12-26(4)20(19)14-21(37-23(35)27(29,30)31)22(26)38-24(36)28(32,33)34/h8,10,13,18-22H,7,9,11-12,14H2,1-6H3/t18-,19-,20+,21-,22-,26+/m1/s1 |
| InChIKey |
GUJCTDVQGIJFRL-BMQWHLEYSA-N |
| Molecular Weight |
594.666 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(C[C@]([C@]1(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])[H])C |
| SPLASH |
splash10-000i-0000090000-debd938fd99edf90167f |
| Source of Spectrum |
KO-18-315-0 |
| Wiley ID |
1409607 |
