| SpectraBase Spectrum ID |
1EUtt8BsbwX |
| Name |
(9R,11S,14Rs)-8,13-diacetoxy-11,14-epoxy-17-nor-8,9-secolabdan-9-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.282489002 u |
| Formula |
C23H40O6 |
| InChI |
InChI=1S/C23H40O6/c1-15-23(7,29-17(3)25)14-18(28-15)20(26)22(6)12-9-11-21(4,5)19(22)10-8-13-27-16(2)24/h15,18-20,26H,8-14H2,1-7H3/t15?,18-,19-,20-,22-,23+/m0/s1 |
| InChIKey |
CVXWPRNRSLGWIE-IVNDARHDSA-N |
| Molecular Weight |
412.567 g/mol |
| SMILES |
[C@]1([C@]([C@]2(OC(C)[C@@](C2)(OC(=O)C)C)[H])(O)[H])([C@](C(C)(C)CCC1)(CCCOC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977116 |
