| SpectraBase Spectrum ID |
1AbpLPtyhLR |
| Name |
16.beta.-(Hydroxymethyl)-3-methoxy-13.alpha.-estra-1,3,5(10)-trien-17.alpha.-ol |
| Alternate Name(s) |
[(13alpha,16beta,17alpha)-17-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-yl]methanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
LFRSVHPVBIECFA-GPTJPXBLSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
O[C@]1([C@@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(C[C@@]1(CO)[H])[H])[H])OC)[H])C)[H] |
| SPLASH |
splash10-014i-0109000000-bbbba1429f575ca9b014 |
| Source of Spectrum |
G-68-1147-5 |
| Wiley ID |
1520469 |
