Spektraris NMR
ent- 11b,16,18- Trihydroxy-6-oxomano yl oxide
Common Name: ent- 11b,16,18- Trihydroxy-6-oxomano yl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-5-20(12-22)10-14(24)16-18(3)8-6-7-17(2,11-21)15(18)13(23)9-19(16,4)25-20/h5,14-16,21-22,24H,1,6-12H2,2-4H3/t14-,15-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=QNNDRJGDWSUVMX-NXZWVFBWSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91
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) | 38.6 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 35.9 |
| 4 (C) | 37 |
| 5 (CH) | 61.9 |
| 6 (C) | 209.9 |
| 7 (CH2) | 61 |
| 8 (C) | 76.6 |
| 9 (CH) | 55.6 |
| 10 (C) | 40.6 |
| 11 (CH) | 64.1 |
| 12 (CH2) | 38.2 |
| 13 (C) | 77.4 |
| 14 (CH) | 142.9 |
| 15 (CH2) | 114.9 |
| 16 (CH2) | 68.5 |
| 17 (CH3) | 28.4 |
| 18 (CH2) | 71.9 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 19 |
