| SpectraBase Spectrum ID |
Bsp2NXnkoim |
| Name |
5.ALPHA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL |
| CAS Registry Number |
10002-95-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.224580204 u |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,17-,18-/m0/s1 |
| InChIKey |
QNKATSBSLLYTMH-ZOBJDFHLSA-N |
| Molecular Weight |
278.436 g/mol |
| Nominal Mass |
278 u |
| Number of Peaks |
74 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0fvi-4390000000-00bcb47258f02d0f4bcb |
| Source File Reference |
LMCM-71219-485N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ESTRANE-3,17-DIOL
(3R,5S,8R,9R,10S,13S,14S,17S)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1567 |
