| SpectraBase Compound ID | 2BUVIjyXmPX |
|---|---|
| InChI | InChI=1S/C44H67NO4Si2/c1-42(2,3)50(8,9)48-32-21-22-33-31(29-32)28-30(18-14-12-13-17-27-45-40(46)35-19-15-16-20-36(35)41(45)47)39-34(33)25-26-44(7)37(39)23-24-38(44)49-51(10,11)43(4,5)6/h15-16,19-22,29-30,34,37-39H,12-14,17-18,23-28H2,1-11H3/t30-,34?,37?,38+,39?,44+/m1/s1 |
| InChIKey | KRIYYIYBLGCVIC-ZIXQATIYSA-N |
| Mol Weight | 730.2 g/mol |
| Molecular Formula | C44H67NO4Si2 |
| Exact Mass | 729.460863 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JmXQOHiC503 |
|---|---|
| Name | 3,17.beta.-(tert-Butyldimethylsilyloxy)-7.alpha.-[6-(phthalimido)hexan-1-yl)estra-1,3,5(10)-triene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H67NO4Si2 |
| InChI | InChI=1S/C44H67NO4Si2/c1-42(2,3)50(8,9)48-32-21-22-33-31(29-32)28-30(18-14-12-13-17-27-45-40(46)35-19-15-16-20-36(35)41(45)47)39-34(33)25-26-44(7)37(39)23-24-38(44)49-51(10,11)43(4,5)6/h15-16,19-22,29-30,34,37-39H,12-14,17-18,23-28H2,1-11H3/t30-,34?,37?,38+,39?,44+/m1/s1 |
| InChIKey | KRIYYIYBLGCVIC-ZIXQATIYSA-N |
| Molecular Weight | 730.193 g/mol |
| SMILES | C1(N(C(c2ccccc12)=O)CCCCCC[C@]1(C2C3[C@]([C@@](O[Si](C(C)(C)C)(C)C)(CC3)[H])(C)CCC2c2c(C1)cc(O[Si](C(C)(C)C)(C)C)cc2)[H])=O |
| SPLASH | splash10-00di-0000009000-39acfab91e00241d6605 |
| Source of Spectrum | J-64-8116-17 |
| Wiley ID | 1531376 |