| SpectraBase Spectrum ID |
jS8Z6z44sn |
| Name |
Methyl 16-(methoxycarbonyl)-androstane-14-oxo-18-isopimarate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.240624190 u |
| Formula |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-20(13-17(23)26-4)12-9-15-14(18(20)24)7-8-16-21(15,2)10-6-11-22(16,3)19(25)27-5/h14-16H,6-13H2,1-5H3/t14-,15+,16?,20-,21-,22-/m1/s1 |
| InChIKey |
XOLDXRGXVQPYGC-PGDLAMFKSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
[C@@]12(C([C@@](C(=O)OC)(C)CCC2)CC[C@]2(C(=O)[C@](CC[C@]12[H])(CC(=O)OC)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885789 |
