| SpectraBase Spectrum ID |
80LJCvCU6Dz |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,16.BETA.-17.ALPHA.-TRIOL |
| CAS Registry Number |
793-89-5 |
| 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-LMMHAMTPSA-N |
| Molecular Weight |
288.387 g/mol |
| Nominal Mass |
288 u |
| Number of Peaks |
71 |
| 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-1790000000-3f53a701ae61af4c900b |
| Source File Reference |
LMCM-30115-539T |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ESTRA-1(10),2,4-TRIENE-3,16,17-TRIOL
(8R,9S,13S,14S,16S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol |
| Wiley ID |
4_1424 |
