| SpectraBase Spectrum ID |
InaU55mQqyR |
| Name |
(11S)-3,3-Ethylenedioxy-4.beta.,5.alpha.,7.alpha.-eudesmane-6.alpha.,12-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-11(10-18)13-4-5-16(3)6-7-17(20-8-9-21-17)12(2)14(16)15(13)19/h11-15,18-19H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16?/m1/s1 |
| InChIKey |
NOJOXSXAZNGHLP-XOPOGPEOSA-N |
| SMILES |
[C@@]1([C@@]2(C(CCC3([C@@]2(C)[H])OCCO3)(C)CC[C@@]1([C@@](CO)(C)[H])[H])[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905927 |
