| SpectraBase Spectrum ID |
HdLtY2niLN8 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL-6-ONE(3,17.ALPHA.-DI-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21-,22+/m1/s1 |
| InChIKey |
REXFWMANWYNMPV-MEESNCPOSA-N |
| Molecular Weight |
370.445 g/mol |
| Nominal Mass |
370 u |
| Number of Peaks |
53 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CC(c2c1)=O)[H])[H])(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-004i-2698000000-59c8269b338afd853b73 |
| Source File Reference |
LMCM-99319-970F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)-6-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-13-methyl-6-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_1927 |
