SpectraBase Spectrum ID |
BqVVt1DoCVt |
Name |
3.beta.-Hydroxy-3.alpha.-methyl-19-nor-abieta-8,11,13-triene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.229665585 u |
Formula |
C20H30O |
InChI |
InChI=1S/C20H30O/c1-13(2)15-6-9-18-16(12-15)7-8-17-14(3)20(5,21)11-10-19(17,18)4/h6,9,12-14,17,21H,7-8,10-11H2,1-5H3/t14-,17-,19-,20-/m0/s1 |
InChIKey |
IOEZUZPRRKDLJY-HSCHXYMDSA-N |
SMILES |
[C@@]12([C@]([C@@](C)([H])[C@](CC2)(O)C)(CCC2=C1C=CC(C(C)C)=C2)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899877 |