| SpectraBase Spectrum ID |
7S93GOcg0QE |
| Name |
Dimethyl (+)-7.beta.-acetoxy-14,15,16-trinor-3-clerodene-13,18-dioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.219888744 u |
| Formula |
C21H32O6 |
| InChI |
InChI=1S/C21H32O6/c1-13-16(27-14(2)22)12-21(4)15(19(24)26-6)8-7-9-17(21)20(13,3)11-10-18(23)25-5/h8,13,16-17H,7,9-12H2,1-6H3/t13-,16-,17-,20+,21+/m0/s1 |
| InChIKey |
BRPLPGDXTHMNKH-AZFZUWSMSA-N |
| Molecular Weight |
380.481 g/mol |
| SMILES |
[C@]12(C(C(=O)OC)=CCC[C@]1([C@@](CCC(=O)OC)(C)[C@]([C@](C2)(OC(=O)C)[H])(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82138 |
