| SpectraBase Compound ID | 3vnoRtACzbO |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17-13-22(34-18(2)30)14-21-15-24(35-19(3)31)26-23-10-8-12-28(23,4)16-20(27(26)29(17,21)5)9-7-11-25(32)33-6/h17,20-24,26-27H,7-16H2,1-6H3/t17?,20?,21?,22?,23-,24?,26+,27-,28-,29-/m0/s1/i16D,20D/t16?,17?,20?,21?,22?,23-,24?,26+,27-,28-,29- |
| InChIKey | FTIKPGHNEUOSHH-DRKRGWQJSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C29H442D2O6 |
| Exact Mass | 492.341993 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SjRj9iuUJ0 |
|---|---|
| Name | 11,12-dideutero-3,7-diacetoxy-11-(1-methyl-3-methoxycarbonyl)propyl-androstane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44D2O6 |
| InChI | InChI=1S/C29H46O6/c1-17-13-22(34-18(2)30)14-21-15-24(35-19(3)31)26-23-10-8-12-28(23,4)16-20(27(26)29(17,21)5)9-7-11-25(32)33-6/h17,20-24,26-27H,7-16H2,1-6H3/t17?,20?,21?,22?,23-,24?,26+,27-,28-,29-/m0/s1/i16D,20D/t16?,17?,20?,21?,22?,23-,24?,26+,27-,28-,29- |
| InChIKey | FTIKPGHNEUOSHH-DRKRGWQJSA-N |
| Molecular Weight | 492.693 g/mol |
| SMILES | [C@]12([C@@]3(C(CC(CC3C)OC(=O)C)CC([C@]1([C@@]1(CCC[C@]1(C(C2(CCCC(=O)OC)[2D])[2D])C)[H])[H])OC(=O)C)C)[H] |
| SPLASH | splash10-01r7-9410000000-c31792ba138b9d6df887 |
| Source of Spectrum | KO-11-270-0 |
| Wiley ID | 1397298 |