Spektraris NMR
Altotibetin D
Common Name: Altotibetin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H50O14/c1-11-15-28(44)51-31-22(3)30(52-36(46)27-16-13-12-14-17-27)29-34(49-24(5)41)38(10,47)20-39(29,53-26(7)43)33(45)21(2)18-19-37(8,9)35(50-25(6)42)32(31)48-23(4)40/h12-14,16-19,21,29-32,34-35,47H,3,11,15,20H2,1-2,4-10H3/b19-18+/t21-,29-,30-,31-,32+,34+,35+,38+,39+/m0/s1
InChIKey: InChIKey=QAZMTAXCHQTAHA-KLZZQFMOSA-N
Formula: C39H50O14
Molecular Weight: 742.807407
Exact Mass: 742.320056
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, L., Zhang, X.F., Deng, Y., Wang, H., Wu, D.G., Luo, X.D. Helv Chim Acta (2003) 86, 2525-32
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 49.7 |
| 2 (C) | 79.4 |
| 3 (CH) | 80.2 |
| 4 (CH) | 47.1 |
| 5 (CH) | 68.9 |
| 6 (C) | 143.6 |
| 7 (CH) | 68.5 |
| 8 (CH) | 70.4 |
| 9 (CH) | 80.9 |
| 10 (C) | 41 |
| 11 (CH) | 135.6 |
| 12 (CH) | 132.2 |
| 13 (CH) | 43.8 |
| 14 (C) | 204.7 |
| 15 (C) | 92.9 |
| 16 (CH3) | 23.5 |
| 17 (CH2) | 113.7 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 19.8 |
| 3a (C) | 169.8 |
| 3b (CH3) | 20.9 |
| 5a (C) | 164.2 |
| 5b (C) | 130.6 |
| 5c (CH) | 130.1 |
| 5d (CH) | 128.6 |
| 5e (CH) | 133.5 |
| 5f (CH) | 128.6 |
| 5g (CH) | 130.1 |
| 7a (C) | 173.4 |
| 7b (CH2) | 36.7 |
| 7c (CH2) | 18.8 |
| 7d (CH3) | 14 |
| 8a (C) | 169.9 |
| 8b (CH3) | 21 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.5 |
| 15a (C) | 170.3 |
| 15b (CH3) | 21.7 |
