| SpectraBase Spectrum ID |
6oZL5sAnfRF |
| Name |
2.alpha.,3.beta.-Diacetoxy-12.beta.-hydroxypregna-4,7,16-trien-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O6 |
| InChI |
InChI=1S/C25H32O6/c1-13(26)18-8-9-19-17-7-6-16-10-21(30-14(2)27)22(31-15(3)28)12-24(16,4)20(17)11-23(29)25(18,19)5/h7-8,10,19-23,29H,6,9,11-12H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+/m0/s1 |
| InChIKey |
XDDUMFWNPMIXFT-PUEVIBJHSA-N |
| Molecular Weight |
428.525 g/mol |
| SMILES |
O[C@]1([C@]2([C@](C3=CCC4=C[C@]([C@@](C[C@@]4([C@]3(C1)[H])C)(OC(=O)C)[H])(OC(=O)C)[H])(CC=C2C(C)=O)[H])C)[H] |
| SPLASH |
splash10-002e-9177000000-ef1fb14a25624b759998 |
| Source of Spectrum |
X2-50-73-10 |
| Synonyms |
(2alpha,3beta,12beta)-2-(acetyloxy)-12-hydroxy-20-oxopregna-4,7,16-trien-3-yl acetate |
| Wiley ID |
1602139 |
