Spektraris NMR
5-Cinnamqylbreviflio
Common Name: 5-Cinnamqylbreviflio
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O10/c1-23-29-21-40(38(5,6)46)22-30(43)24(2)34(40)35(50-37(45)28-16-12-9-13-17-28)36(48-26(4)42)39(29,7)32(47-25(3)41)20-31(23)49-33(44)19-18-27-14-10-8-11-15-27/h8-19,29-32,35-36,43,46H,1,20-22H2,2-7H3/b19-18+/t29-,30+,31+,32+,35-,36+,39+,40+/m1/s1
InChIKey: InChIKey=QKGOWVZVLXIPIY-RIRXJFKJSA-N
Formula: C40H46O10
Molecular Weight: 686.78876
Exact Mass: 686.309098
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barboni, L., Gariboldi, P., Torregiani, E., Appendino, G., Varese, M., Gabetta, B., Bombardelli, E. J Nat Prod (1995) 58, 934-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 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 (C) | 63.1 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 39.1 |
| 4 (C) | 145.6 |
| 5 (CH) | 74.2 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 69.7 |
| 8 (C) | 44.8 |
| 9 (CH) | 77.1 |
| 10 (CH) | 70.7 |
| 11 (C) | 134.1 |
| 12 (C) | 151.2 |
| 13 (CH) | 76.9 |
| 14 (CH2) | 47.4 |
| 15 (C) | 75.5 |
| 16 (CH3) | 24.8 |
| 17 (CH3) | 27 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 12.9 |
| 20 (CH2) | 114.1 |
| 5a (C) | 165.8 |
| 5b (CH) | 118.3 |
| 5c (CH) | 165.8 |
| 5d (C) | 134.4 |
| 5e (CH) | 128.1 |
| 5f (CH) | 128.8 |
| 5g (CH) | 130.2 |
| 5h (CH) | 128.8 |
| 5i (CH) | 128.1 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.4 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.7 |
| 10a (C) | 164.1 |
| 10b (C) | 129.2 |
| 10c (CH) | 129.4 |
| 10d (CH) | 128.7 |
| 10e (CH) | 133.2 |
| 10f (CH) | 128.7 |
| 10g (CH) | 129.4 |
