| SpectraBase Spectrum ID |
KGTbrGmQlmW |
| Name |
2,3-(TMS)2-17-HFB of E-2,3,17.beta.-triol |
| Alternate Name(s) |
(17alpha)-2,3-bis[(trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate
2,3-bis(trimethylsilyloxy)-17.beta.-heptafluorobutanoyl-1,3,5(10)-estratriene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39F7O4Si2 |
| InChI |
InChI=1S/C28H39F7O4Si2/c1-25-13-12-17-18(20(25)10-11-23(25)37-24(36)26(29,30)27(31,32)28(33,34)35)9-8-16-14-21(38-40(2,3)4)22(15-19(16)17)39-41(5,6)7/h14-15,17-18,20,23H,8-13H2,1-7H3/t17-,18+,20-,23+,25-/m0/s1 |
| InChIKey |
SGXGBWWIMINUGQ-DKBPJWHKSA-N |
| Molecular Weight |
628.775 g/mol |
| SMILES |
C(C(C(O[C@]1([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])cc(O[Si](C)(C)C)c(c4)O[Si](C)(C)C)[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-004i-0000109000-589acf5ebccd77c50ca1 |
| Source of Spectrum |
KO-18-315-0 |
| Wiley ID |
1411981 |
