| SpectraBase Spectrum ID |
HOpcg4syKDC |
| Name |
Methyl (8R)-13-ethylenedioxy-14,15-dinor-17-labdanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-19(2)10-6-11-20(3)16(9-12-21(4)24-13-14-25-21)15(18(22)23-5)7-8-17(19)20/h15-17H,6-14H2,1-5H3/t15-,16-,17-,20+/m0/s1 |
| InChIKey |
OLSCETRMEFDELQ-OGNFBWPZSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)OC)(CC[C@]2(C(C)(C)CCC1)[H])[H])(CCC1(OCCO1)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892299 |
