Spektraris NMR
ent-3,6-diketo-13-epi- manoyl oxide
Common Name: ent-3,6-diketo-13-epi- manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-7-18(4)10-8-14-19(5)11-9-15(22)17(2,3)16(19)13(21)12-20(14,6)23-18/h7,14,16H,1,8-12H2,2-6H3/t14-,16+,18-,19-,20-/m0/s1
InChIKey: InChIKey=DVESMHWMEOKNQB-HWUFZWQCSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Martinez, A., Onorato, M.E., Parra, A., Recondo, M.B., Rivas, F., Arrebola, M.L., Socorro, O. Phytochemistry (1994) 35, 645-50
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) | 39.7 |
| 2 (CH2) | 33.8 |
| 3 (C) | 214.2 |
| 4 (C) | 47 |
| 5 (CH) | 65.8 |
| 6 (C) | 207.3 |
| 7 (CH2) | 60.3 |
| 8 (C) | 71.9 |
| 9 (CH) | 58.2 |
| 10 (C) | 39.9 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 34.5 |
| 13 (C) | 74.6 |
| 14 (CH) | 146.5 |
| 15 (CH2) | 110.6 |
| 16 (CH3) | 32.5 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 16.3 |
