| SpectraBase Spectrum ID |
8YbSZTskFEa |
| Name |
ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE |
| CAS Registry Number |
53-16-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey |
DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Molecular Weight |
270.372 g/mol |
| Nominal Mass |
270 u |
| Number of Peaks |
78 |
| SMILES |
Oc1ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=O)C)[H] |
| SPLASH |
splash10-00di-2890000000-af19d7397637fc5ae779 |
| Source File Reference |
LMCM-72672-796M |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-
ESTRONE
3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_2093 |
