| SpectraBase Spectrum ID |
34qkFpIdK2c |
| Name |
18-Norpregna-8,11,13-trien-3-one, 20,21-bis(acetyloxy)-17-methyl-, (5.beta.,17.alpha.,20R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.224974125 u |
| Formula |
C25H32O5 |
| InChI |
InChI=1S/C25H32O5/c1-15(26)29-14-23(30-16(2)27)25(4)12-10-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)7-8-22(20)25/h7-8,17,23H,5-6,9-14H2,1-4H3/t17-,23+,24+,25+/m1/s1 |
| InChIKey |
ZWBWLUGWOIBJQQ-XPVKZQAGSA-N |
| Molecular Weight |
412.526 g/mol |
| SMILES |
[C@@]12(C3=C(C=4CC[C@@](C4C=C3)([C@@](OC(=O)C)(COC(=O)C)[H])C)CC[C@@]2(CC(CC1)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836744 |
