Spektraris NMR
Meoidic acid
Common Name: Meoidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O6/c1-7-15(2)23(29)33-21-14-19-25(5,10-8-11-26(19,6)24(30)31)20-13-18-9-12-27(20,21)22(16(18)3)32-17(4)28/h7,18-22H,3,8-14H2,1-2,4-6H3,(H,30,31)/b15-7-/t18-,19-,20-,21-,22+,25+,26+,27+/m0/s1
InChIKey: InChIKey=OVQZREXPGSSAST-IWXRWPOCSA-N
Formula: C27H38O6
Molecular Weight: 458.588047
Exact Mass: 458.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosselli, S., Maggio, A., Eiroa, C., Formisano, C., Bruno, M., Irace, C., Maffettone, C., Mascolo, N. Planta Med (2008) 74, 1285-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 39.9 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 38 |
| 4 (C) | 43.2 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 74.8 |
| 8 (C) | 38.9 |
| 9 (CH) | 39.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 26 |
| 12 (CH) | 35.4 |
| 13 (CH2) | 26.4 |
| 14 (CH2) | 26.6 |
| 15 (CH) | 75.1 |
| 16 (C) | 151.6 |
| 17 (CH2) | 111.5 |
| 18 (CH3) | 28.6 |
| 19 (C) | 182.7 |
| 20 (CH3) | 12.5 |
| 7a (C) | 167 |
| 7b (C) | 128.8 |
| 7c (CH) | 136.5 |
| 7d (CH3) | 15.8 |
| 7e (CH3) | 21 |
| 15a (C) | 170.4 |
| 15b (CH3) | 21.7 |
