![4-{[3,17.beta.-Bis(methoxymethoxy)estra-1(10),2,4-trien-17.alpha.-yl]ethynyl}-N,N-dimethylaniline](/api/spectrum/3A1kyHxchzu/structure.png?h=300&w=458 "4-{[3,17.beta.-Bis(methoxymethoxy)estra-1(10),2,4-trien-17.alpha.-yl]ethynyl}-N,N-dimethylaniline")
| SpectraBase Compound ID | LJiVgrpLcZ7 |
|---|---|
| InChI | InChI=1S/C32H41NO4/c1-31-17-15-28-27-13-11-26(36-21-34-4)20-24(27)8-12-29(28)30(31)16-19-32(31,37-22-35-5)18-14-23-6-9-25(10-7-23)33(2)3/h6-7,9-11,13,20,28-30H,8,12,15-17,19,21-22H2,1-5H3/t28?,29?,30?,31-,32-/m0/s1 |
| InChIKey | VXZLNNMOOOYYHM-PFPYMUTBSA-N |
| Mol Weight | 503.7 g/mol |
| Molecular Formula | C32H41NO4 |
| Exact Mass | 503.303559 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3A1kyHxchzu |
|---|---|
| Name | 4-{[3,17.beta.-Bis(methoxymethoxy)estra-1(10),2,4-trien-17.alpha.-yl]ethynyl}-N,N-dimethylaniline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H41NO4 |
| InChI | InChI=1S/C32H41NO4/c1-31-17-15-28-27-13-11-26(36-21-34-4)20-24(27)8-12-29(28)30(31)16-19-32(31,37-22-35-5)18-14-23-6-9-25(10-7-23)33(2)3/h6-7,9-11,13,20,28-30H,8,12,15-17,19,21-22H2,1-5H3/t28?,29?,30?,31-,32-/m0/s1 |
| InChIKey | VXZLNNMOOOYYHM-PFPYMUTBSA-N |
| Molecular Weight | 503.683 g/mol |
| SMILES | [C@@]12(C(C3CCc4c(C3CC2)ccc(OCOC)c4)CC[C@]1(C#Cc1ccc(cc1)N(C)C)OCOC)C |
| SPLASH | splash10-052f-0110900000-b3e2374a7d0613fa8cfd |
| Source of Spectrum | F4-42-2090-3n |
| Wiley ID | 1674149 |