| SpectraBase Spectrum ID |
1MEt47JY9ZY |
| Name |
5.ALPHA.-ANDROSTANE-3.BETA.,9-DIOL-17-ONE |
| CAS Registry Number |
25848-71-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h12-15,20,22H,3-11H2,1-2H3/t12-,13-,14-,15-,17-,18-,19?/m0/s1 |
| InChIKey |
UXZGHAVOAACUIL-HYHXLLSQSA-N |
| Molecular Weight |
306.446 g/mol |
| Nominal Mass |
306 u |
| Number of Peaks |
170 |
| SMILES |
OC12[C@]3(CC[C@@](C[C@@]3(CC[C@]1([C@@]1(CCC([C@]1(CC2)C)=O)[H])[H])[H])(O)[H])C |
| SPLASH |
splash10-074i-7920000000-08a84228dc9c30bb998f |
| Source File Reference |
LMCM-32896-297C |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,9-DIHYDROXYANDROSTAN-17-ONE
(3S,5S,8S,10S,13S,14S)-3,9-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one |
| Wiley ID |
4_2877 |
