Spektraris NMR
15-Acetoxy-12-hydroxy-16-methyl-lab-da-8(17),13E-diene
Common Name: 15-Acetoxy-12-hydroxy-16-methyl-lab-da-8(17),13E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-15-8-9-20-21(4,5)11-7-12-22(20,6)18(15)14-19(24)16(2)10-13-25-17(3)23/h10,18-20,24H,1,7-9,11-14H2,2-6H3/b16-10+/t18-,19?,20-,22+/m0/s1
InChIKey: InChIKey=AWXAMHFFFBFXCA-MSXNEJORSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vardamides, J.C., Sielinou, V.T., Ndemangou, B., Nkengfack, A.E., Fomum, Z.T., Poumale, H.M., Laatsch, H. Planta Med (2007) 73, 491-5
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) | 38.9 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.5 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.9 |
| 9 (CH) | 53 |
| 10 (C) | 39.4 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 76.8 |
| 13 (C) | 142.6 |
| 14 (CH) | 121.3 |
| 15 (CH2) | 60.8 |
| 16 (CH3) | 10.7 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.6 |
| 15a (C) | 170 |
| 15b (CH3) | 21.7 |
