| SpectraBase Spectrum ID |
7OaujQ54Gz7 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-16-ONE(3,17.BETA.-DI-ACETATE) |
| CAS Registry Number |
1247-47-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(25)21(22)27-13(2)24/h5,7,10,17-19,21H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,21+,22+/m1/s1 |
| InChIKey |
RADJLYXZKCROSL-DGYCAGFBSA-N |
| Molecular Weight |
370.445 g/mol |
| Nominal Mass |
370 u |
| Number of Peaks |
55 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@](C(C[C@]4([C@@]3(CCc2c1)[H])[H])=O)(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-004i-0439000000-1713cd3877b9c0ac6bf3 |
| Source File Reference |
LMCM-56482-541U |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)-16-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-13-methyl-16-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_1591 |
