| SpectraBase Spectrum ID |
3DANTE7W76 |
| Name |
Pregnane-3,6,20-triol, (3.beta.,5.beta.,6.beta.,20R)- |
| Alternate Name(s) |
(3beta,5beta,6beta,20R)-pregnane-3,6,20-triol
3.beta.,6.beta.,20.beta.-trihydroxy-5.beta.-pregnane |
| CAS Registry Number |
70286-66-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18+,19-,20-,21-/m1/s1 |
| InChIKey |
SWHHMTKXNOSPLE-VPHMXRFGSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
O[C@@]([C@@]1([C@]2(CC[C@]3([C@@](C[C@]([C@]4([C@@]3(CC[C@@](C4)(O)[H])C)[H])(O)[H])([C@@]2(CC1)[H])[H])[H])C)[H])(C)[H] |
| SPLASH |
splash10-000y-9220000000-c0042e2f8254a43cf5bb |
| Source of Spectrum |
O-13-451-1 |
| Wiley ID |
1332708 |
