| SpectraBase Spectrum ID |
JbV7QqzbHEU |
| Name |
20-(Dimethylamino)-2.alpha.-hydroxy-3.beta.-(phthalimido)-5.alpha.-pregnan-4.beta.-yl Acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H46N2O5 |
| InChI |
InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18?,22?,23-,24?,25?,26+,27-,28+,29-,32-,33-/m1/s1 |
| InChIKey |
YUUHBLRWEZLNID-JZDGRHSGSA-N |
| Molecular Weight |
550.740 g/mol |
| SMILES |
O[C@]1([C@](N2C(c3ccccc3C2=O)=O)([C@@]([C@@]2(CCC3C4CC[C@@]([C@]4(CCC3[C@]2(C1)C)C)(C(N(C)C)C)[H])[H])(OC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-052k-0910050000-b58b75b4a758efb484d9 |
| Source of Spectrum |
G4-61-1261-4 |
| Synonyms |
(2alpha,3beta,4beta,5alpha,20S)-20-(dimethylamino)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxypregnan-4-yl acetate |
| Wiley ID |
1607518 |
