| SpectraBase Compound ID | 3waMEnCS2lx |
|---|---|
| InChI | InChI=1S/C27H49O5PSi3/c1-27-18-17-23-22-14-12-21(30-34(2,3)4)19-20(22)11-13-24(23)25(27)15-16-26(27)29-33(28,31-35(5,6)7)32-36(8,9)10/h12,14,19,23-26H,11,13,15-18H2,1-10H3/t23-,24-,25+,26+,27+/m1/s1/i5D3,6D3,7D3,8D3,9D3,10D3 |
| InChIKey | PHQDLCKQRCPKGY-HJPCRVFWSA-N |
| Mol Weight | 587.02 g/mol |
| Molecular Formula | C27H312D18O5PSi3 |
| Exact Mass | 586.375523 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Elo9E2ZvfB |
|---|---|
| Name | 1,3,5-(10)-Estratrien-3,17.beta.-diol 17.beta.-phosphate perdeuterio (bistrimethylsilyl ester trimethylsilyl ether) |
| CAS Registry Number | 33779-54-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31D18O5PSi3 |
| InChI | InChI=1S/C27H49O5PSi3/c1-27-18-17-23-22-14-12-21(30-34(2,3)4)19-20(22)11-13-24(23)25(27)15-16-26(27)29-33(28,31-35(5,6)7)32-36(8,9)10/h12,14,19,23-26H,11,13,15-18H2,1-10H3/t23-,24-,25+,26+,27+/m1/s1/i5D3,6D3,7D3,8D3,9D3,10D3 |
| InChIKey | PHQDLCKQRCPKGY-HJPCRVFWSA-N |
| Molecular Weight | 587.023 g/mol |
| SMILES | [C@]1(OP(O[Si](C([2D])([2D])[2D])(C([2D])([2D])[2D])C([2D])([2D])[2D])(O[Si](C([2D])([2D])[2D])(C([2D])([2D])[2D])C([2D])([2D])[2D])=O)([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C)(C)C)c4)[H])([H])CC1)C)[H] |
| SPLASH | splash10-00rl-2292030000-395369522fc432bdcbcd |
| Source of Spectrum | F-27-4235-2 |
| Wiley ID | 1407481 |