| SpectraBase Spectrum ID |
Fx9CMPWIg9k |
| Name |
ANDROST-5-ENE-3.BETA.,17.BETA.-DIOL-16-ONE |
| CAS Registry Number |
1159-66-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1 |
| InChIKey |
AKRBLZKRYPEVIK-PEMPUTJUSA-N |
| Molecular Weight |
304.430 g/mol |
| Nominal Mass |
304 u |
| Number of Peaks |
156 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1=O)[H])[H])(O)[H])C)[H])C)[H] |
| SPLASH |
splash10-0zfu-5962000000-03acbd5f0ce18de6ae88 |
| Source File Reference |
LMCM-62270-059Q |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,17-DIHYDROXYANDROST-5-EN-16-ONE
(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthren-16(2H)-one |
| Wiley ID |
4_2453 |
