| SpectraBase Spectrum ID |
HsLDXzqXHZw |
| Name |
Estra-1,3,5(10)-trien-17-ol, 3-(phenylmethoxy)-16-(phenylmethyl)-, (16.alpha.,17.beta.)- |
| Alternate Name(s) |
(16alpha,17beta)-16-benzyl-3-(benzyloxy)estra-1,3,5(10)-trien-17-ol
16.alpha.-benzyl-3-(benzyloxy)estra-1,3,5(10)-trien-17.beta.-ol |
| CAS Registry Number |
106139-64-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H36O2 |
| InChI |
InChI=1S/C32H36O2/c1-32-17-16-28-27-15-13-26(34-21-23-10-6-3-7-11-23)19-24(27)12-14-29(28)30(32)20-25(31(32)33)18-22-8-4-2-5-9-22/h2-11,13,15,19,25,28-31,33H,12,14,16-18,20-21H2,1H3/t25-,28-,29-,30+,31+,32+/m1/s1 |
| InChIKey |
YEPPXFVCEQOGAV-XEHWIINKSA-N |
| Molecular Weight |
452.638 g/mol |
| SMILES |
O[C@]1([C@](Cc2ccccc2)(C[C@@]2([C@@]1(CC[C@@]1(c3c(cc(cc3)OCc3ccccc3)CC[C@@]21[H])[H])C)[H])[H])[H] |
| SPLASH |
splash10-0006-9000200000-c2186ff156d62fa9fc75 |
| Source of Spectrum |
J-52-250-7 |
| Wiley ID |
1388431 |
