| SpectraBase Spectrum ID |
K79X2mvGPBh |
| Name |
ANDROST-4-ENE-11.BETA.,17.BETA.-DIOL-3-ONE |
| CAS Registry Number |
1816-85-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1 |
| InChIKey |
YQDZGFAYWGWSJK-SLMGBJJTSA-N |
| Molecular Weight |
304.430 g/mol |
| Nominal Mass |
304 u |
| Number of Peaks |
166 |
| SMILES |
O[C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)[H] |
| SPLASH |
splash10-0mdl-4921000000-0112817bcc8c9a58c330 |
| Source File Reference |
LMCM-31869-957F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
11,17-DIHYDROXYANDROST-4-EN-3-ONE
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_2375 |
