| SpectraBase Compound ID | GXmTxFsFMAh |
|---|---|
| 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 |
| InChIKey | LYVSPGXNPWKSQL-CJCQAMMFSA-N |
| Mol Weight | 498.4 g/mol |
| Molecular Formula | C30H52B2O4 |
| Exact Mass | 498.40517 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DiReVLWJKd0 |
|---|---|
| Name | 6-Deoxocastasterone BMB |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52B2O4 |
| 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 |
| InChIKey | LYVSPGXNPWKSQL-CJCQAMMFSA-N |
| Molecular Weight | 498.362 g/mol |
| SMILES | [C@@]1([C@](OB(O1)C)([C@](C(C)C)(C)[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-0390400000-1f6931e178db9a1e77ce |
| Source of Spectrum | QC-25-1110-0 |
| Synonyms | Endogenous-6-deoxo-CS bismethaneboronate dev Endogenous-6-deoxo-CS bismethaneboronate dev. authenic 6-Deoxocastasterone BMB dev. |
| Wiley ID | 1584416 |