Spektraris NMR
13α-Hydroxyterracinolide B
Common Name: 13α-Hydroxyterracinolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O18/c1-18(2)32(46)53-31-27(49-19(3)39)30(51-21(5)41)34(9,10)15-16-35(11,48)33(47)38(56-24(8)44)17-36(12,54-22(6)42)28(50-20(4)40)26(38)29-37(31,55-23(7)43)14-13-25(45)52-29/h15-16,18,26-31,48H,13-14,17H2,1-12H3/b16-15+/t26-,27+,28-,29-,30-,31-,35-,36-,37?,38-/m1/s1
InChIKey: InChIKey=KOPJPWSRYZRWPD-BIORKGAHSA-N
Formula: C38H52O18
Molecular Weight: 796.810172
Exact Mass: 796.315365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600
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) | 45.5 |
| 2 (C) | 86.5 |
| 3 (CH) | 81.2 |
| 4 (CH) | 46.9 |
| 5 (CH) | 72.3 |
| 6 (C) | 81.2 |
| 7 (CH) | 68.1 |
| 8 (CH) | 67.5 |
| 9 (CH) | 81.2 |
| 10 (C) | 39.6 |
| 11 (CH) | 131 |
| 12 (CH) | 133.4 |
| 13 (C) | 82.1 |
| 14 (C) | 212.5 |
| 15 (C) | 92.4 |
| 16 (CH3) | 19.6 |
| 17 (CH2) | 26.3 |
| 18 (CH3) | 26 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 29.6 |
| 21 (CH2) | 28.7 |
| 22 (C) | 172 |
| 2a (C) | 170.4 |
| 2b (CH3) | 22.4 |
| 3a (C) | 169.9 |
| 3b (CH3) | 22.3 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.4 |
| 7a (C) | 175.5 |
| 7b (CH) | 34.4 |
| 7c (CH3) | 18.9 |
| 7ba (CH3) | 18.3 |
| 8a (C) | 169.8 |
| 8b (CH3) | 21 |
| 9a (C) | 168.9 |
| 9b (CH3) | 20.7 |
| 15a (C) | 168.8 |
| 15b (CH3) | 20.5 |
