Spektraris NMR
ent-3b-acetoxy-12-oxo-13-epi-manoyl oxide
Common Name: ent-3b-acetoxy-12-oxo-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-8-21(6)17(24)13-16-20(5)11-10-18(25-14(2)23)19(3,4)15(20)9-12-22(16,7)26-21/h8,15-16,18H,1,9-13H2,2-7H3/t15-,16+,18+,20+,21-,22-/m0/s1
InChIKey: InChIKey=NGFGXFGGCQGWFO-SAGMEGEUSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Linan, E., Martinez, A., Rivas, F., MesaValle, C.M., CastillaCalvente, J.J., Osuna, A. J Nat Prod (1997) 60, 13-6
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) | 38.04 |
| 2 (CH2) | 23.48 |
| 3 (CH) | 80.1 |
| 4 (C) | 38.38 |
| 5 (CH) | 54.71 |
| 6 (CH2) | 19.38 |
| 7 (CH2) | 41.59 |
| 8 (C) | 75.92 |
| 9 (CH) | 63.79 |
| 10 (C) | 37.92 |
| 11 (CH2) | 42.21 |
| 12 (C) | 207.18 |
| 13 (C) | 81.61 |
| 14 (CH) | 141.79 |
| 15 (CH2) | 113.93 |
| 16 (CH3) | 32.46 |
| 17 (CH3) | 22.24 |
| 18 (CH3) | 28.11 |
| 19 (CH3) | 16.52 |
| 20 (CH3) | 15.91 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.34 |
