| SpectraBase Spectrum ID |
ARnZmGLp8VI |
| Name |
Pregn-5-ene-3,20-diol, diacetate, (3.beta.,20R)- |
| CAS Registry Number |
1913-46-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,15,19-23H,7-14H2,1-5H3/t15-,19-,20-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey |
KNPATZSHRPGJID-HXRMFLBJSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](OC(=O)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0006-0019000000-4fc98fcc2589cdcf9f58 |
| Source of Spectrum |
KC-1983-302-0 |
| Synonyms |
(3beta,20S)-20-(acetyloxy)pregn-5-en-3-yl acetate
Pregn-5-en-3.beta.,20.beta.-diyl diacetate
Pregn-5-ene-3.beta.,20.beta.-diol, diacetate |
| Wiley ID |
1370563 |
