Spektraris NMR
7,13-Dibenzoylwallifoliol
Common Name: 7,13-Dibenzoylwallifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H42O12/c1-24-29(51-35(45)26-15-9-6-10-16-26)22-41-32(24)43(49,38(48)55-39(41,3)4)40(5)30(52-36(46)27-17-11-7-12-18-27)21-31-42(23-50-31,54-25(2)44)33(40)34(41)53-37(47)28-19-13-8-14-20-28/h6-20,29-31,33-34,49H,21-23H2,1-5H3/t29-,30-,31+,33-,34-,40+,41-,42-,43-/m0/s1
InChIKey: InChIKey=AJNUDIMNASRBFL-FURMGZRISA-N
Formula: C43H42O12
Molecular Weight: 750.788014
Exact Mass: 750.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
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) | 60.8 |
| 2 (CH) | 68.1 |
| 3 (CH) | 43 |
| 4 (C) | 81.7 |
| 5 (CH) | 83.1 |
| 6 (CH2) | 35.9 |
| 7 (CH) | 71.9 |
| 8 (C) | 48.5 |
| 9 (C) | 84.5 |
| 10 (C) | 173.7 |
| 11 (C) | 136 |
| 12 (C) | 149.9 |
| 13 (CH) | 79.6 |
| 14 (CH2) | 34.4 |
| 15 (C) | 89.6 |
| 16 (CH3) | 25 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 11.3 |
| 20 (CH2) | 74.4 |
| 2a (C) | 165.6 |
| 2b (C) | 133.2 |
| 2c (CH) | 129.5 |
| 2d (CH) | 128.6 |
| 2e (CH) | 130 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.5 |
| 4a (C) | 171 |
| 4b (CH3) | 21.1 |
| 7a (C) | 166.7 |
| 7b (C) | 133.5 |
| 7c (CH) | 129.6 |
| 7d (CH) | 128.7 |
| 7e (CH) | 130.3 |
| 7f (CH) | 128.7 |
| 7g (CH) | 129.6 |
| 13a (C) | 169.1 |
| 13b (C) | 133.7 |
| 13c (CH) | 129.9 |
| 13d (CH) | 128.9 |
| 13e (CH) | 130.6 |
| 13f (CH) | 128.9 |
| 13g (CH) | 129.9 |
