| SpectraBase Spectrum ID |
94XRJrSZyri |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, (16.ALPHA.,17.BETA.)- |
| CAS Registry Number |
50-27-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
288.172544630 u |
| Formula |
C18H24O3 |
| InChI |
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChIKey |
PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Molecular Weight |
288.387 g/mol |
| Nominal Mass |
288 u |
| Number of Peaks |
240 |
| SMILES |
O[C@]1([C@@]([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(C1)[H])[H])O)[H])C)(O)[H])[H] |
| SPLASH |
splash10-000i-3950000000-601a5475416bd99f3e32 |
| Source File Reference |
LMCM-40487-175K |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(16.ALPHA.,17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene-5,13,14-triol |
| Wiley ID |
8_39892 |
