![[2H6]-6-Deoxocastasterone BMB](/api/spectrum/GXK8IIFY5zs/structure.png?h=300&w=458 "[2H6]-6-Deoxocastasterone BMB")
| SpectraBase Compound ID | 5VsXNsY02gY |
|---|---|
| InChI | InChI=1S/C30H52B2O4/c1-17(2)18(3)27-28(36-32(8)35-27)19(4)22-11-12-23-21-10-9-20-15-25-26(34-31(7)33-25)16-30(20,6)24(21)13-14-29(22,23)5/h17-28H,9-16H2,1-8H3/t18-,19-,20-,21?,22?,23?,24?,25-,26+,27+,28+,29+,30-/m0/s1/i1D3,3D3/t17?,18-,19-,20-,21?,22?,23?,24?,25-,26+,27+,28+,29+,30- |
| InChIKey | LYVSPGXNPWKSQL-QJWABKSVSA-N |
| Mol Weight | 504.4 g/mol |
| Molecular Formula | C30H462D6B2O4 |
| Exact Mass | 504.442831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXK8IIFY5zs |
|---|---|
| Name | [2H6]-6-Deoxocastasterone BMB |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46D6B2O4 |
| InChI | InChI=1S/C30H52B2O4/c1-17(2)18(3)27-28(36-32(8)35-27)19(4)22-11-12-23-21-10-9-20-15-25-26(34-31(7)33-25)16-30(20,6)24(21)13-14-29(22,23)5/h17-28H,9-16H2,1-8H3/t18-,19-,20-,21?,22?,23?,24?,25-,26+,27+,28+,29+,30-/m0/s1/i1D3,3D3/t17?,18-,19-,20-,21?,22?,23?,24?,25-,26+,27+,28+,29+,30- |
| InChIKey | LYVSPGXNPWKSQL-QJWABKSVSA-N |
| Molecular Weight | 504.399 g/mol |
| SMILES | [C@@]1([C@](OB(O1)C)([C@](C(C([2D])([2D])[2D])C)(C([2D])([2D])[2D])[H])[H])([C@](C1[C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(C[C@]2(OB(C)O[C@]2(C4)[H])[H])C)[H])CC1)C)(C)[H])[H] |
| SPLASH | splash10-00di-0390130000-e8fae5baf539eff55850 |
| Source of Spectrum | QC-24-1542-7 |
| Wiley ID | 1584195 |