| SpectraBase Spectrum ID |
5Zu5r3Uxp44 |
| Name |
23,24-Dinor-5,16-choladiene-1.alpha.,3.beta.,22-triol 1,3-Diacetate |
| Alternate Name(s) |
(1alpha,3beta)-1-(acetyloxy)-17-[(1S)-2-hydroxy-1-methylpropyl]estra-5,16-dien-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38O5 |
| InChI |
InChI=1S/C26H38O5/c1-14(15(2)27)22-8-9-23-20-7-6-18-12-19(30-16(3)28)13-24(31-17(4)29)25(18)21(20)10-11-26(22,23)5/h6,8,14-15,19-21,23-25,27H,7,9-13H2,1-5H3/t14-,15?,19-,20-,21+,23+,24+,25?,26-/m1/s1 |
| InChIKey |
UGXHIUWJKWJBIS-KXFZUYBASA-N |
| Molecular Weight |
430.585 g/mol |
| SMILES |
OC([C@](C=1[C@@]2([C@]([C@@]3(CC=C4C([C@]3(CC2)[H])[C@](C[C@](OC(=O)C)(C4)[H])(OC(=O)C)[H])[H])(CC1)[H])C)(C)[H])C |
| SPLASH |
splash10-01ox-0496000000-13e92e73e017efbeac72 |
| Source of Spectrum |
J-57-37-6 |
| Wiley ID |
1381674 |
