| SpectraBase Spectrum ID |
4lGnzbKMk6x |
| Name |
7-Oxopregn-5-ene-3.beta.,20-diyl 3-acetate 20-nitrate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H33NO6 |
| InChI |
InChI=1S/C23H33NO6/c1-13(30-24(27)28)17-5-6-18-21-19(8-10-23(17,18)4)22(3)9-7-16(29-14(2)25)11-15(22)12-20(21)26/h12-13,16-19,21H,5-11H2,1-4H3/t13-,16?,17?,18?,19?,21?,22?,23?/m1/s1 |
| InChIKey |
XUIPHIOHKWLIQL-IFAFDLMVSA-N |
| Molecular Weight |
419.518 g/mol |
| SMILES |
C12(C(C3C(C=C4C(C3CC2)(CCC(OC(=O)C)C4)C)=O)CCC1[C@](ON(=O)=O)(C)[H])C |
| SPLASH |
splash10-066r-0095000000-776b9ef3423932718c81 |
| Source of Spectrum |
G-61-410-9 |
| Synonyms |
(20R)-20-(nitrooxy)-7-oxopregn-5-en-3-yl acetate |
| Wiley ID |
749011 |
