| SpectraBase Spectrum ID |
57UKG95CyHK |
| Name |
Pregna-5,17(20)-diene-3,20,21-triol, cyclic 20,21-(butylboronate), (3.beta.)- |
| Alternate Name(s) |
(3beta)-17-(2-butyl-1,3,2-dioxaborolan-4-ylidene)androst-5-en-3-ol
3.beta.,21-dihydroxypregn-5-en-20-one n-butyl boronate
Pregna-5,17(20)-diene-3.beta.,20,21-triol, cyclic 20,21-(1-butaneboronate) |
| CAS Registry Number |
30881-81-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H39BO3 |
| InChI |
InChI=1S/C25H39BO3/c1-4-5-14-26-28-16-23(29-26)22-9-8-20-19-7-6-17-15-18(27)10-12-24(17,2)21(19)11-13-25(20,22)3/h6,18-21,27H,4-5,7-16H2,1-3H3/b23-22+/t18-,19-,20-,21-,24-,25-/m0/s1 |
| InChIKey |
ODLYJRKRFSPCJP-MYCOOKJQSA-N |
| Molecular Weight |
398.394 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(\C(=C/5OB(CCCC)OC5)CC[C@]4([C@@]3(CC=C2C1)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0zfs-0922000000-b4397b7d3aa1aeacd616 |
| Source of Spectrum |
O-5-1436-23 |
| Wiley ID |
1368619 |
