Spektraris NMR
6a-Methoxy-4,8-dimethoxycarbonyl-pinguis-11,6-olide
Common Name: 6a-Methoxy-4,8-dimethoxycarbonyl-pinguis-11,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O7/c1-10-6-7-16(2)13(14(20)22-3)11-8-12(19)25-18(11,24-5)9-17(10,16)15(21)23-4/h8,10,13H,6-7,9H2,1-5H3/t10-,13+,16+,17+,18-/m1/s1
InChIKey: InChIKey=KQUAARQSVYBNFC-GDERCJGUSA-N
Formula: C18H24O7
Molecular Weight: 352.379659
Exact Mass: 352.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Ishikawa, F., Soutome, H., Nabeta, K. Phytochemistry (1998) 48, 851-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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) | 37.2 |
| 2 (CH2) | 29 |
| 3 (CH2) | 35 |
| 4 (CH) | 48.3 |
| 5 (C) | 161.8 |
| 6 (C) | 106.3 |
| 7 (CH2) | 36 |
| 8 (C) | 54.2 |
| 9 (C) | 61.8 |
| 10 (CH) | 119.2 |
| 11 (C) | 172.9 |
| 12 (C) | 169.4 |
| 13 (CH3) | 15.4 |
| 14 (CH3) | 17.4 |
| 15 (C) | 169.3 |
| 6a (CH3) | 50.6 |
| 12a (CH3) | 51.5 |
| 15a (CH3) | 52.3 |
