| SpectraBase Spectrum ID |
GNnRBJ5O60i |
| Name |
5.BETA.-ESTRAN-3.ALPHA.-OL-17-ONE |
| CAS Registry Number |
33036-33-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1 |
| InChIKey |
UOUIARGWRPHDBX-DHMVHTBWSA-N |
| Molecular Weight |
276.420 g/mol |
| Nominal Mass |
276 u |
| Number of Peaks |
88 |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])[H])[H] |
| SPLASH |
splash10-0f96-5590000000-0684a5c3fe432a3ec7b2 |
| Source File Reference |
LMCM-28971-072X |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-HYDROXYESTRAN-17-ONE
(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one |
| Wiley ID |
4_1532 |
