Spektraris NMR
Altotibetin C
Common Name: Altotibetin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O14/c1-19-16-17-35(8,9)33(49-24(6)41)30(47-22(4)39)29(46-21(3)38)20(2)28(50-34(44)26-14-12-11-13-15-26)27-32(48-23(5)40)36(10,45)18-37(27,31(19)43)51-25(7)42/h11-17,19,27-30,32-33,45H,2,18H2,1,3-10H3/b17-16+/t19-,27-,28-,29-,30+,32+,33+,36+,37+/m0/s1
InChIKey: InChIKey=PWEIWEXCWMZIPG-NCSQTBLJSA-N
Formula: C37H46O14
Molecular Weight: 714.754172
Exact Mass: 714.288756
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) | 49.4 |
| 2 (C) | 79.2 |
| 3 (CH) | 79.9 |
| 4 (CH) | 46.7 |
| 5 (CH) | 68.3 |
| 6 (C) | 143.6 |
| 7 (CH) | 68.8 |
| 8 (CH) | 69.8 |
| 9 (CH) | 80.6 |
| 10 (C) | 40.7 |
| 11 (CH) | 135.2 |
| 12 (CH) | 131.8 |
| 13 (CH) | 43.8 |
| 14 (C) | 204.4 |
| 15 (C) | 92.4 |
| 16 (CH3) | 23.1 |
| 17 (CH2) | 113.7 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 19.5 |
| 3a (C) | 169.1 |
| 3b (CH3) | 20.6 |
| 5a (C) | 163.9 |
| 5b (C) | 129.9 |
| 5c (CH) | 129.8 |
| 5d (CH) | 128.2 |
| 5e (CH) | 133 |
| 5f (CH) | 128.2 |
| 5g (CH) | 129.8 |
| 7a (C) | 169.2 |
| 7b (CH3) | 20.6 |
| 8a (C) | 169.5 |
| 8b (CH3) | 21.1 |
| 9a (C) | 169.5 |
| 9b (CH3) | 21.3 |
| 15a (C) | 170.3 |
| 15b (CH3) | 21.1 |
