Spektraris NMR
12b ,19-Dihydroxymanoyl Oxide
Common Name: 12b ,19-Dihydroxymanoyl Oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-6-14(2)15(22)12-17-19(4)10-7-9-18(3,13-21)16(19)8-11-20(17,5)23/h6,14-17,21-23H,1,7-13H2,2-5H3/t14?,15-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=WSEAQQPSSQPHRP-XUAJKLOYSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. Chem Pharm Bull (2002) 50, 498-500
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) | 39.5 |
| 2 (CH2) | 18 |
| 3 (CH2) | 36.2 |
| 4 (C) | 38.4 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 43.5 |
| 8 (C) | 81.3 |
| 9 (CH) | 60.4 |
| 10 (C) | 36.2 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 81.6 |
| 13 (CH) | 74.5 |
| 14 (CH) | 143.1 |
| 15 (CH2) | 113 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 65.4 |
| 20 (CH3) | 15.2 |
