Spektraris NMR
Altotibetin B
Common Name: Altotibetin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H50O13/c1-11-15-29(44)50-33-23(4)32(51-37(46)28-16-13-12-14-17-28)30-31(47-24(5)40)22(3)20-39(30,52-27(8)43)35(45)21(2)18-19-38(9,10)36(49-26(7)42)34(33)48-25(6)41/h12-14,16-19,21-22,30-34,36H,4,11,15,20H2,1-3,5-10H3/b19-18+/t21-,22-,30+,31-,32-,33-,34+,36+,39+/m0/s1
InChIKey: InChIKey=VKTJHCMYCFPRCS-BZKUKDCWSA-N
Formula: C39H50O13
Molecular Weight: 726.808002
Exact Mass: 726.325142
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) | 42.9 |
| 2 (CH) | 37.9 |
| 3 (CH) | 75.9 |
| 4 (CH) | 49.9 |
| 5 (CH) | 67.6 |
| 6 (C) | 142.8 |
| 7 (CH) | 68.7 |
| 8 (CH) | 70.1 |
| 9 (CH) | 80.4 |
| 10 (C) | 40.4 |
| 11 (CH) | 135.7 |
| 12 (CH) | 130.8 |
| 13 (CH) | 44.8 |
| 14 (C) | 204 |
| 15 (C) | 92.5 |
| 16 (CH3) | 14.3 |
| 17 (CH2) | 114.5 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 19.8 |
| 3a (C) | 169.5 |
| 3b (CH3) | 20.6 |
| 5a (C) | 164.2 |
| 5b (C) | 130 |
| 5c (CH) | 129.7 |
| 5d (CH) | 128.2 |
| 5e (CH) | 133 |
| 5f (CH) | 128.2 |
| 5g (CH) | 129.7 |
| 7a (C) | 172.7 |
| 7b (CH2) | 36.2 |
| 7c (CH2) | 18.2 |
| 7d (CH3) | 13.5 |
| 8a (C) | 169.7 |
| 8b (CH3) | 21.1 |
| 9a (C) | 169.7 |
| 9b (CH3) | 21.1 |
| 15a (C) | 169.8 |
| 15b (CH3) | 21.1 |
