| SpectraBase Spectrum ID |
EJ7dsJYFKY3 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)- |
| CAS Registry Number |
50-28-2 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
| InChIKey |
VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Molecular Weight |
272.388 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
216 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)[H])C)[H] |
| SPLASH |
splash10-00di-3950000000-1784de4da4b1eb312304 |
| Source File Reference |
LMCM-76743-807W |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(+)-3,17BETA-ESTRADIOL
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene-5,14-diol |
| Wiley ID |
8_39895 |
