Spektraris NMR
(13R)-6beta-Acetoxylabda-8,14-diene-7alpha,13-diol
Common Name: (13R)-6beta-Acetoxylabda-8,14-diene-7alpha,13-diol
Synonyms: (13R)-6beta-Acetoxylabda-8,14-diene-7alpha,13-diol
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-8-21(6,25)13-10-16-14(2)17(24)18(26-15(3)23)19-20(4,5)11-9-12-22(16,19)7/h8,17-19,24-25H,1,9-13H2,2-7H3/t17-,18+,19-,21-,22+/m0/s1
InChIKey: InChIKey=MBXUZENQJZGXKR-HIHICTBBSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
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) | 39 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.9 |
| 4 (C) | 33 |
| 5 (CH) | 47.9 |
| 6 (CH) | 73.4 |
| 7 (CH) | 72.6 |
| 8 (C) | 124.4 |
| 9 (C) | 145.2 |
| 10 (C) | 39.6 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 41.8 |
| 13 (C) | 73.5 |
| 14 (CH) | 144.6 |
| 15 (CH2) | 112 |
| 16 (CH3) | 27.5 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 21 |
| 6a (C) | 170.8 |
| 6b (CH3) | 21.6 |
