SpectraBase Spectrum ID |
Hjq2s8TqT4M |
Name |
5.BETA.-ESTRAN-17.BETA.-OL-3-ONE |
CAS Registry Number |
19468-31-6 |
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/h11,13-17,20H,2-10H2,1H3/t11-,13+,14-,15-,16+,17+,18+/m1/s1 |
InChIKey |
RHVBIEJVJWNXBU-XZVKZCCLSA-N |
Molecular Weight |
276.420 g/mol |
Nominal Mass |
276 u |
Number of Peaks |
86 |
SMILES |
O[C@]1(CC[C@]2([C@@]3(CC[C@@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])[H])[H] |
SPLASH |
splash10-004l-7690000000-72d1cdc153c20fbca913 |
Source File Reference |
LMCM-28105-891D |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
17-HYDROXYESTRAN-3-ONE
(5R,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
Wiley ID |
4_2102 |