| SpectraBase Spectrum ID |
46sQl2O05gb |
| Name |
Estra-1,3,5(10)-triene-16,17-diol, 3-(methoxymethoxy)-, (16.alpha.,17.beta.)- |
| Alternate Name(s) |
(16alpha,17beta)-3-(methoxymethoxy)estra-1,3,5(10)-triene-16,17-diol
Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol 3-methoxymethylether |
| CAS Registry Number |
123715-90-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-20-8-7-15-14-6-4-13(24-11-23-2)9-12(14)3-5-16(15)17(20)10-18(21)19(20)22/h4,6,9,15-19,21-22H,3,5,7-8,10-11H2,1-2H3/t15-,16-,17+,18-,19+,20+/m1/s1 |
| InChIKey |
DYOZBWHFICJALB-NADOGSGZSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
O[C@]1([C@@](C[C@@]2([C@@]1(CC[C@@]1(c3c(CC[C@@]21[H])cc(cc3)OCOC)[H])C)[H])(O)[H])[H] |
| SPLASH |
splash10-000t-9006000000-b87dd521a6eba8ca8b20 |
| Source of Spectrum |
B-42-418-24 |
| Wiley ID |
1329614 |
