| SpectraBase Spectrum ID |
3euk1VseNIz |
| Name |
17.alpha.-(4'-(Bromoacetoxy)butyn-1'-yl)estra-1,3,5(10)-trien-3,17.beta.-diol |
| Alternate Name(s) |
2-Bromoacetic acid 4-[(17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]but-3-ynyl ester
4-[(17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-17-yl]-3-butynyl bromoacetate
4-[(17S)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]but-3-ynyl 2-bromanylethanoate
4-[(17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]but-3-ynyl 2-bromoacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H29BrO4 |
| InChI |
InChI=1S/C24H29BrO4/c1-23-11-8-19-18-7-5-17(26)14-16(18)4-6-20(19)21(23)9-12-24(23,28)10-2-3-13-29-22(27)15-25/h5,7,14,19-21,26,28H,3-4,6,8-9,11-13,15H2,1H3/t19?,20?,21?,23?,24-/m0/s1 |
| InChIKey |
PNFATSCOKFXMOP-OMWVBJPMSA-N |
| Molecular Weight |
461.396 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4C([C@@](CC4)(C#CCCOC(=O)CBr)O)(CCC23)C)c1 |
| SPLASH |
splash10-03di-0901000000-150b605f04130322da1c |
| Source of Spectrum |
E1-36-2982-15 |
| Wiley ID |
1574685 |
