| SpectraBase Spectrum ID |
1ixaMxYHVog |
| Name |
7.beta.-15,17-Triacetoxy-8-labden |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.298139066 u |
| Formula |
C26H42O6 |
| InChI |
InChI=1S/C26H42O6/c1-17(11-14-30-18(2)27)9-10-22-21(16-31-19(3)28)23(32-20(4)29)15-24-25(5,6)12-8-13-26(22,24)7/h17,23-24H,8-16H2,1-7H3/t17-,23-,24-,26+/m0/s1 |
| InChIKey |
LGGDZBJPTHJPQI-KJPXCWHJSA-N |
| Molecular Weight |
450.616 g/mol |
| SMILES |
C1(=C([C@@](OC(=O)C)(C[C@@]2([C@@]1(CCCC2(C)C)C)[H])[H])COC(=O)C)CC[C@@](CCOC(=O)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930973 |
