Spektraris NMR
3a-Acetoxy-ent-labda-8 (17),12E,14-triene
Common Name: 3a-Acetoxy-ent-labda-8 (17),12E,14-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O2/c1-8-15(2)9-11-18-16(3)10-12-19-21(5,6)20(24-17(4)23)13-14-22(18,19)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9+/t18-,19-,20-,22+/m1/s1
InChIKey: InChIKey=VBUFILPFELSECK-NSJIUBHASA-N
Formula: C22H34O2
Molecular Weight: 330.504985
Exact Mass: 330.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Zapp, J., Becker, H. Phytochemistry (1995) 39, 859-68
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) | 37 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 80.8 |
| 4 (C) | 39.2 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 37.8 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.8 |
| 10 (C) | 38.1 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 133.5 |
| 13 (C) | 133.5 |
| 14 (CH) | 141.6 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 11.8 |
| 17 (CH2) | 108 |
| 18 (CH3) | 23.4 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 14.5 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
