Spektraris NMR
Methyl 2a-hydroxy-6-oxo-11-pinguisanoate
Common Name: Methyl 2a-hydroxy-6-oxo-11-pinguisanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(2)6-9-17(21)19(4)10-5-11-20-15(12-23-18(20)22)14(3)7-8-16(19)20/h6,15-18,21-22H,3,5,7-12H2,1-2,4H3/t15-,16-,17?,18-,19+,20-/m0/s1
InChIKey: InChIKey=JOIFXPCUYPWJKT-XNBVODSUSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, M.S., Connolly, J.D., Rycroft, D.S Phytochemistry (1996) 43, 1249-53
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 37 |
| 2 (CH2) | 19 |
| 3 (CH2) | 30.9 |
| 4 (C) | 39.9 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 35.3 |
| 8 (C) | 149.7 |
| 9 (CH) | 51.5 |
| 10 (C) | 51.1 |
| 11 (CH2) | 64.7 |
| 12 (CH2) | 106.8 |
| 13 (CH) | 102.4 |
| 14 (CH3) | 18.3 |
| 15 (CH) | 75.5 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 121.7 |
| 18 (C) | 136 |
| 19 (CH3) | 26 |
| 20 (CH3) | 17.9 |
