SpectraBase Spectrum ID |
AWQTJaJKXY7 |
Name |
ANDROST-5-ENE-3.BETA.,17.BETA.-DIOL |
CAS Registry Number |
521-17-5 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
290.224580204 u |
Formula |
C19H30O2 |
InChI |
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
InChIKey |
QADHLRWLCPCEKT-LOVVWNRFSA-N |
Molecular Weight |
290.447 g/mol |
Nominal Mass |
290 u |
Number of Peaks |
165 |
SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)[H] |
SPLASH |
splash10-052f-4790000000-649ba7143f542875c665 |
Source File Reference |
LMCM-86139-040M |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
ANDROST-5-ENE-3,17-DIOL, (3.BETA.,17.BETA.)-
ANDROST-5-ENE-3,17-DIOL
(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
Wiley ID |
4_2133 |