| SpectraBase Spectrum ID |
7XmCL5jGanm |
| Name |
(14S)-7-beta,14,15-Triacetoxy-8,13-epoxylabdane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.293053685 u |
| Formula |
C26H42O7 |
| InChI |
InChI=1S/C26H42O7/c1-16(27)30-15-22(32-18(3)29)25(7)13-10-19-24(6)12-9-11-23(4,5)20(24)14-21(31-17(2)28)26(19,8)33-25/h19-22H,9-15H2,1-8H3/t19-,20+,21+,22+,24-,25-,26+/m1/s1 |
| InChIKey |
BQLCQUOBHXVNKB-XMVJTNDFSA-N |
| Molecular Weight |
466.615 g/mol |
| SMILES |
[C@]12(O[C@](CC[C@@]2([C@]2(CCCC([C@@]2(C[C@@]1(OC(=O)C)[H])[H])(C)C)C)[H])([C@@](OC(=O)C)(COC(=O)C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938719 |
