| SpectraBase Spectrum ID |
8mrg5GTVPLY |
| Name |
ANDROSTA-1,4-DIENE-16.BETA.-OL-3-ONE |
| CAS Registry Number |
7346-05-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.193280075 u |
| Formula |
C19H26O2 |
| InChI |
InChI=1S/C19H26O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h5,8-9,14-17,21H,3-4,6-7,10-11H2,1-2H3/t14-,15+,16-,17-,18+,19-/m0/s1 |
| InChIKey |
TUIDIRWXLXOZQV-BDPHEOEISA-N |
| Molecular Weight |
286.415 g/mol |
| Nominal Mass |
286 u |
| Number of Peaks |
70 |
| SMILES |
O[C@]1(C[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3(CC[C@@]2(C1)C)[H])C)=O)[H])[H])[H] |
| SPLASH |
splash10-00di-5900000000-50b81d7ce5165bc9621e |
| Source File Reference |
LMCM-49814-114P |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16-HYDROXYANDROSTA-1,4-DIEN-3-ONE
(8S,9S,10R,13R,14S,16S)-16-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Wiley ID |
4_992 |
