| SpectraBase Spectrum ID |
EYLQAyOndNl |
| Name |
ESTRA-1,3,5(10),6-TETRAENE-3-OL-17-ONE |
| CAS Registry Number |
2208-12-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
268.146329882 u |
| Formula |
C18H20O2 |
| InChI |
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey |
WTRRIQCGCGCMQA-CBZIJGRNSA-N |
| Molecular Weight |
268.356 g/mol |
| Nominal Mass |
268 u |
| Number of Peaks |
52 |
| SMILES |
Oc1ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(C=Cc2c1)[H])[H])=O)C)[H] |
| SPLASH |
splash10-06di-0950000000-7f166779dc0f5127dc6c |
| Source File Reference |
LMCM-87819-684M |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-HYDROXYESTRA-1,3,5(10),6-TETRAEN-17-ONE
(8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,13,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_1514 |
