| SpectraBase Spectrum ID |
CP6K9d8tIrz |
| Name |
ESTR-4-ENE-17.BETA.-OL-3-ONE(17.BETA.-PHENYLPROPIONATE) |
| CAS Registry Number |
62-90-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
406.250794952 u |
| Formula |
C27H34O3 |
| InChI |
InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1 |
| InChIKey |
UBWXUGDQUBIEIZ-QNTYDACNSA-N |
| Molecular Weight |
406.566 g/mol |
| Nominal Mass |
406 u |
| Number of Peaks |
68 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(OC(CCc1ccccc1)=O)[H])C)[H])[H])=O |
| SPLASH |
splash10-0a4i-3290100000-8ffab1e1534c83392b12 |
| Source File Reference |
LMCM-30682-189Y |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-OXOESTR-4-EN-17-YL 3-PHENYLPROPANOATE
(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 3-phenylpropanoate |
| Wiley ID |
4_1944 |
