| SpectraBase Spectrum ID |
CZAs8KCLWXn |
| Name |
(9S)-8,9-Diacetoxy-17-nor-8,9-secolabdan-13-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.303224447 u |
| Formula |
C23H42O5 |
| InChI |
InChI=1S/C23H42O5/c1-8-22(6,26)15-12-20(28-18(3)25)23(7)14-10-13-21(4,5)19(23)11-9-16-27-17(2)24/h19-20,26H,8-16H2,1-7H3/t19?,20?,22?,23-/m0/s1 |
| InChIKey |
SJOLWGKVVNYELM-XJBJGSKASA-N |
| Molecular Weight |
398.584 g/mol |
| SMILES |
[C@@]1(C(C(C)(C)CCC1)CCCOC(=O)C)(C(OC(=O)C)CCC(O)(CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969415 |
