SpectraBase Spectrum ID |
31GwAstgPrN |
Name |
5.ALPHA.-ANDROSTANE-3.BETA.,7.BETA.-DIOL-17-ONE |
CAS Registry Number |
25848-69-5 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
306.219494823 u |
Formula |
C19H30O3 |
InChI |
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19+/m1/s1 |
InChIKey |
VFPMCLQMAUVEHD-UCPSWNCLSA-N |
Molecular Weight |
306.446 g/mol |
Nominal Mass |
306 u |
Number of Peaks |
156 |
SMILES |
O[C@@]1([C@]2([C@@]3(CCC([C@]3(CC[C@@]2([C@]2(CC[C@@](C[C@@]2(C1)[H])(O)[H])C)[H])C)=O)[H])[H])[H] |
SPLASH |
splash10-056u-5921000000-80ac72c0da3f257c93d4 |
Source File Reference |
LMCM-13975-787Y |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
3,7-DIHYDROXYANDROSTAN-17-ONE
(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one |
Wiley ID |
4_2887 |