| SpectraBase Spectrum ID |
DWYwV1JcKZU |
| Name |
Pregnane-3,17,20-triol, cyclic 17,20-[(1,1-dimethylethyl)boronate], (3.alpha.,5.beta.,20R)- |
| Alternate Name(s) |
(1'S,2S,2'S,3R,5'R,7'R,10'R,11'S,15'S)-5-tert-butyl-2',3,15'-trimethylspiro[1,4,5-dioxaborolane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-5'-ol
5.beta.-pregnane-3.alpha.,17,20.beta.-triol, cyclic 17,20-(2-methyl-2-propaneboronate)
5.beta.-pregnane-3.alpha.,17.alpha.,20.alpha.-triol n-butyl boronate
Pregnane-3,17,20-triol, cyclic 17,20-[(1,1-dimethylethyl)boronate], (3alpha,5beta,20R)- |
| CAS Registry Number |
30882-59-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H43BO3 |
| InChI |
InChI=1S/C25H43BO3/c1-16-25(29-26(28-16)22(2,3)4)14-11-21-19-8-7-17-15-18(27)9-12-23(17,5)20(19)10-13-24(21,25)6/h16-21,27H,7-15H2,1-6H3/t16-,17-,18-,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey |
KIVZCERHRUVXFW-ANOHQQIBSA-N |
| Molecular Weight |
402.426 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]5(OB(C(C)(C)C)O[C@@]5(C)[H])CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-066r-0931000000-ff70eb48ffafd9d7bfac |
| Source of Spectrum |
O-5-1435-14 |
| Wiley ID |
1370592 |
![Pregnane-3,17,20-triol, cyclic 17,20-[(1,1-dimethylethyl)boronate], (3.alpha.,5.beta.,20R)-](/api/spectrum/DWYwV1JcKZU/structure.png?h=300&w=458 "Pregnane-3,17,20-triol, cyclic 17,20-[(1,1-dimethylethyl)boronate], (3.alpha.,5.beta.,20R)-")
