| SpectraBase Spectrum ID |
9jgNULTH0gf |
| Name |
11.alpha.-Hydroxy-1.alpha.-iodo-5.beta.-pregnane-3,20-dione |
| Alternate Name(s) |
(1alpha,5beta,11alpha)-11-hydroxy-1-iodopregnane-3,20-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31IO3 |
| InChI |
InChI=1S/C21H31IO3/c1-11(23)15-6-7-16-14-5-4-12-8-13(24)9-18(22)21(12,3)19(14)17(25)10-20(15,16)2/h12,14-19,25H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19-,20-,21-/m1/s1 |
| InChIKey |
QVEQKBJUDKQMAQ-ZXAJKFLUSA-N |
| Molecular Weight |
458.380 g/mol |
| SMILES |
O[C@@]1(C[C@]2([C@]([C@@]3(CC[C@@]4(CC(C[C@@]([C@@]4([C@@]13[H])C)(I)[H])=O)[H])[H])(CC[C@@]2(C(C)=O)[H])[H])C)[H] |
| SPLASH |
splash10-0pb9-9065100000-67ed9888d6eead968e9e |
| Source of Spectrum |
Y1-46-4237-9 |
| Wiley ID |
1622511 |
