Spektraris NMR
5a,10a-Epoxy-pinguisane-11,6-olide-15-carboxilic acid methyl ester
Common Name: 5a,10a-Epoxy-pinguisane-11,6-olide-15-carboxilic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O5/c1-8-5-6-14(2)10(12(17)19-4)16-9(7-15(8,14)3)20-13(18)11(16)21-16/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11+,14+,15+,16+/m1/s1
InChIKey: InChIKey=GOLDIZUXVRVSFY-ZSAWQWSWSA-N
Formula: C16H22O5
Molecular Weight: 294.343496
Exact Mass: 294.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bungert, M., Gabler, J., Adam, K.P., Zapp, J., Becker, H. Phytochemistry (1998) 49, 1079-83
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) | 40.8 |
| 2 (CH2) | 30.7 |
| 3 (CH2) | 35.9 |
| 4 (CH) | 57.8 |
| 5 (C) | 54.8 |
| 6 (CH) | 77 |
| 7 (CH2) | 44.7 |
| 8 (C) | 55.4 |
| 9 (C) | 57.9 |
| 10 (CH) | 57 |
| 11 (C) | 178.1 |
| 12 (CH3) | 16.1 |
| 13 (CH3) | 15 |
| 14 (CH3) | 19.9 |
| 15 (C) | 171.1 |
| 15a (CH3) | 51.6 |
