| SpectraBase Compound ID | 4VvmLYTpHnL |
|---|---|
| InChI | InChI=1S/C25H43BO4/c1-23(2,3)26-29-14-21(30-26)19-9-8-18-17-7-6-15-12-16(27)10-11-24(15,4)22(17)20(28)13-25(18,19)5/h15-22,27-28H,6-14H2,1-5H3 |
| InChIKey | RTNLCVREZNFNON-UHFFFAOYSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C25H43BO4 |
| Exact Mass | 418.32544 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IgPkSJafDpg |
|---|---|
| Name | 17-(2-tert-Butyl-1,3,2-dioxaborolan-4-yl)androstane-3,11-diol |
| Alternate Name(s) | Pregnane-3,11,20,21-tetrol, cyclic 20,21-[(1,1-dimethylethyl)boronate], (3.alpha.,5.alpha.,11.beta.,20S)- 17-(2-tert-butyl-1,3,2-dioxaborolan-4-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol 5.alpha.-Pregnane-3.alpha.,11.beta.,20.beta.,21-tetrol, cyclic 20,21-(2-methyl-2-propaneboronate) Pregnane-3,11,20,21-tetrol, cyclic 20,21-[(1,1-dimethylethyl)boronate], (3.alpha.,5.alpha.,11.beta.,20R)- |
| CAS Registry Number | 30882-71-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H43BO4 |
| InChI | InChI=1S/C25H43BO4/c1-23(2,3)26-29-14-21(30-26)19-9-8-18-17-7-6-15-12-16(27)10-11-24(15,4)22(17)20(28)13-25(18,19)5/h15-22,27-28H,6-14H2,1-5H3 |
| InChIKey | RTNLCVREZNFNON-UHFFFAOYSA-N |
| Molecular Weight | 418.425 g/mol |
| SMILES | OC1CC2(C(C3C1C1(C(CC(CC1)O)CC3)C)CCC2C1OB(C(C)(C)C)OC1)C |
| SPLASH | splash10-0006-8932000000-1be9eb932b178d00b757 |
| Source of Spectrum | AD-0-5147-0 |
| Wiley ID | 58654 |