Spektraris NMR
Caloncoba lactone
Common Name: Caloncoba lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O3/c1-17-9-11-25(3)16-23-28(6)21-10-12-26(4)18(2)19(30)7-8-20(26)27(21,5)13-14-29(28,22(25)15-17)24(31)32-23/h18,20-23H,1,7-16H2,2-6H3/t18-,20+,21-,22+,23-,25+,26+,27-,28-,29-/m0/s1
InChIKey: InChIKey=VWWIQUPEGPHXDE-ZQGYFWGMSA-N
Formula: C29H42O3
Molecular Weight: 438.643067
Exact Mass: 438.313395
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giner Pons R. M., Gray A. I. L. C. M. G., Gibbons S., Waterman P. G. Phytochemistry (1992) 31, 223
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.1 |
| 2 (CH2) | 41.3 |
| 3 (C) | 212.5 |
| 4 (CH) | 57.8 |
| 5 (C) | 41.9 |
| 6 (CH2) | 40 |
| 7 (CH2) | 19.9 |
| 8 (CH) | 47.9 |
| 9 (C) | 36.6 |
| 10 (CH) | 58.2 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 21.6 |
| 13 (C) | 50.9 |
| 14 (C) | 46.7 |
| 15 (CH) | 81 |
| 16 (CH2) | 39.7 |
| 17 (C) | 31.4 |
| 18 (CH) | 44.7 |
| 19 (CH2) | 30.8 |
| 20 (C) | 145.3 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 13.3 |
| 27 (C) | 179.3 |
| 28 (CH3) | 30.1 |
| 29 (CH2) | 109.1 |
