![[2H6]-6-Deoxo-3-dehydroteasterone methaneboronate dev.](/api/spectrum/HRuLDQ4dYea/structure.png?h=300&w=458 "[2H6]-6-Deoxo-3-dehydroteasterone methaneboronate dev.")
| SpectraBase Compound ID | 4UDXpragIVI |
|---|---|
| InChI | InChI=1S/C29H49BO3/c1-17(2)18(3)26-27(33-30(7)32-26)19(4)23-10-11-24-22-9-8-20-16-21(31)12-14-28(20,5)25(22)13-15-29(23,24)6/h17-20,22-27H,8-16H2,1-7H3/t18-,19-,20-,22?,23?,24?,25?,26+,27+,28-,29+/m0/s1/i8D,9D,12D,14D,16D,20D/t8?,9?,12?,14?,16?,18-,19-,20-,22?,23?,24?,25?,26+,27+,28-,29+ |
| InChIKey | UDOILKIACGIPKD-CQWUUFJGSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C29H432D6BO3 |
| Exact Mass | 462.415136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HRuLDQ4dYea |
|---|---|
| Name | [2H6]-6-Deoxo-3-dehydroteasterone methaneboronate dev. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H43D6BO3 |
| InChI | InChI=1S/C29H49BO3/c1-17(2)18(3)26-27(33-30(7)32-26)19(4)23-10-11-24-22-9-8-20-16-21(31)12-14-28(20,5)25(22)13-15-29(23,24)6/h17-20,22-27H,8-16H2,1-7H3/t18-,19-,20-,22?,23?,24?,25?,26+,27+,28-,29+/m0/s1/i8D,9D,12D,14D,16D,20D/t8?,9?,12?,14?,16?,18-,19-,20-,22?,23?,24?,25?,26+,27+,28-,29+ |
| InChIKey | UDOILKIACGIPKD-CQWUUFJGSA-N |
| Molecular Weight | 462.555 g/mol |
| SMILES | [C@@]1([C@](OB(O1)C)([C@](C(C)C)(C)[H])[H])([C@](C1[C@@]2(C(C3C(C([2D])[C@@]4([C@@](C3CC2)(C(C(C(=O)C4[2D])[2D])[2D])C)[2D])[2D])CC1)C)(C)[H])[H] |
| SPLASH | splash10-01q9-0391400000-0edc0b943340e0be7088 |
| Source of Spectrum | QC-24-1542-5 |
| Wiley ID | 1584199 |