| SpectraBase Spectrum ID |
GMHMTHg96fS |
| Name |
7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol |
| Alternate Name(s) |
(7alpha,16beta,17beta)-3-(methoxymethoxy)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-16,17-diol
(7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H51F5O5S |
| InChI |
InChI=1S/C34H51F5O5S/c1-32-16-14-27-26-13-12-25(44-22-43-2)20-24(26)19-23(30(27)28(32)21-29(40)31(32)41)11-8-6-4-3-5-7-9-17-45(42)18-10-15-33(35,36)34(37,38)39/h12-13,20,23,27-31,40-41H,3-11,14-19,21-22H2,1-2H3/t23-,27-,28+,29+,30-,31+,32+,45?/m1/s1 |
| InChIKey |
ADNSKWDCKMBBFC-UNVOCXMMSA-N |
| Molecular Weight |
666.829 g/mol |
| SMILES |
O[C@]1([C@](C[C@@]2([C@@]1(CC[C@@]1(c3c(C[C@]([C@@]21[H])(CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])cc(cc3)OCOC)[H])C)[H])(O)[H])[H] |
| SPLASH |
splash10-0a4i-0000819000-6b9e3a660d904930d6f8 |
| Source of Spectrum |
K-2002-2278-15 |
| Wiley ID |
1613180 |
![7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol](/api/spectrum/GMHMTHg96fS/structure.png?h=300&w=458 "7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol")
