Spektraris NMR
Agathenediol
Common Name: Agathenediol
Synonyms: Agathenediol
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,17-18,21-22H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=MJHWZTRFACWHTA-AKZLODSSSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bastard, J., Duc, D.K., Fetizon, M., Francis, M.J., Grant, P.K., Weavers, R.T., Kaneko, C., Baddeley, G.V., Bernassau, J.M., Burfitt, I.R., Wovkulich, P.M., Wenkert, E. J Nat Prod (1984) 47, 592-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38 |
| 2 (CH2) | 19 |
| 3 (CH2) | 35.5 |
| 4 (C) | 39.6 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38 |
| 8 (C) | 148.1 |
| 9 (CH) | 56.5 |
| 10 (C) | 38.9 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 38 |
| 13 (C) | 140.2 |
| 14 (CH) | 123.2 |
| 15 (CH2) | 59.3 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 64.9 |
| 20 (CH3) | 15.3 |
