| SpectraBase Spectrum ID |
Ezkr7TZXpC1 |
| Name |
4-Hydroxymethylestra-1,3,5(10)-triene-17-one-3-(2,2,2-trichloroethyl) sulfate |
| Alternate Name(s) |
(8R,9S,13S,14S)-4-(hydroxymethyl)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl (2,2,2-trichloroethyl) sulfate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25Cl3O6S |
| InChI |
InChI=1S/C21H25Cl3O6S/c1-20-9-8-14-12-4-6-18(30-31(27,28)29-11-21(22,23)24)16(10-25)13(12)2-3-15(14)17(20)5-7-19(20)26/h4,6,14-15,17,25H,2-3,5,7-11H2,1H3/t14-,15-,17+,20+/m1/s1 |
| InChIKey |
ONIUSYXPLRTURH-UOSKARGWSA-N |
| Literature Reference DOI |
10.1002/cbic.200900143 |
| Molecular Weight |
511.844 g/mol |
| SMILES |
OCc1c(OS(OCC(Cl)(Cl)Cl)(=O)=O)ccc2c1CC[C@@]1([C@@]2(CC[C@@]2(C(CC[C@@]12[H])=O)C)[H])[H] |
| SPLASH |
splash10-001m-3171900000-9fd6ba7db6cc5d51e512 |
| Source of Spectrum |
CBC-10-1457/SM5-7 |
| Wiley ID |
1786631 |
