Spektraris NMR
ent-1α,18-Dihydroxy-6-oxo-13-epi-manoyl oxide
Common Name: ent-1α,18-Dihydroxy-6-oxo-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-6-18(3)10-7-14-19(4,24-18)11-13(22)16-17(2,12-21)9-8-15(23)20(14,16)5/h6,14-16,21,23H,1,7-12H2,2-5H3/t14-,15-,16-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=LWBVGARUWMHBND-RVXCPRFISA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghoumari, H., Benajiba, M.H., Garcia-Granados, A., Fernandez, A., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (2006) 67, 2294-302
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 (CH) | 69.9 |
| 2 (CH2) | 25.3 |
| 3 (CH2) | 29.3 |
| 4 (C) | 37.1 |
| 5 (CH) | 54.9 |
| 6 (C) | 211.4 |
| 7 (CH2) | 60 |
| 8 (C) | 77.9 |
| 9 (CH) | 50.1 |
| 10 (C) | 43.8 |
| 11 (CH2) | 16.4 |
| 12 (CH2) | 34.2 |
| 13 (C) | 74.4 |
| 14 (CH) | 146.8 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 32.5 |
| 17 (CH3) | 24.9 |
| 18 (CH2) | 71.8 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 17.5 |
