| SpectraBase Spectrum ID |
4vpuIjx5lWT |
| Name |
Pregn-7-ene-20-carboxaldehyde, 3-(acetyloxy)-4-methyl-, (3.beta.,4.alpha.,5.alpha.,20S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.282095081 u |
| Formula |
C25H38O3 |
| InChI |
InChI=1S/C25H38O3/c1-15(14-26)19-8-9-21-18-6-7-20-16(2)23(28-17(3)27)11-13-25(20,5)22(18)10-12-24(19,21)4/h6,14-16,19-23H,7-13H2,1-5H3/t15-,16+,19-,20+,21+,22+,23+,24-,25+/m1/s1 |
| InChIKey |
UUNZMNDCUXPVKK-CIPUCBSASA-N |
| Molecular Weight |
386.576 g/mol |
| SMILES |
C1=2[C@@]([C@]3(CC[C@@]([C@]([C@@]3(CC2)[H])(C)[H])(OC(=O)C)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](C=O)(C)[H])[H])[H])C)[H] |
