Spektraris NMR
13α-Hydroxyterracinolide I
Common Name: 13α-Hydroxyterracinolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O19/c1-17(2)31(46)55-30-26(50-18(3)39)29(52-20(5)41)34(9,10)15-16-35(11,48)32(47)38(49)25(28-37(30,57-23(8)44)14-13-24(45)54-28)27(51-19(4)40)36(12,56-22(7)43)33(38)53-21(6)42/h15-17,25-30,33,48-49H,13-14H2,1-12H3/b16-15+/t25-,26+,27-,28-,29-,30-,33-,35-,36+,37?,38-/m1/s1
InChIKey: InChIKey=MJGFWHXLKFAONU-TXBVHHJHSA-N
Formula: C38H52O19
Molecular Weight: 812.809577
Exact Mass: 812.310279
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 (CH) | 78.7 |
| 2 (C) | 87.6 |
| 3 (CH) | 80.2 |
| 4 (CH) | 44.2 |
| 5 (CH) | 72.7 |
| 6 (C) | 81.6 |
| 7 (CH) | 67.9 |
| 8 (CH) | 67.5 |
| 9 (CH) | 80.8 |
| 10 (C) | 39.5 |
| 11 (CH) | 131.4 |
| 12 (CH) | 132.9 |
| 13 (C) | 82.9 |
| 14 (C) | 212.5 |
| 15 (C) | 55.2 |
| 16 (CH3) | 15.7 |
| 17 (CH2) | 25.9 |
| 18 (CH3) | 26 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 29.9 |
| 21 (CH2) | 28.7 |
| 22 (C) | 172.3 |
| 1a (C) | 170.3 |
| 1b (CH3) | 22.3 |
| 2a (C) | 169.9 |
| 2b (CH3) | 22.1 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21 |
| 6a (C) | 169.7 |
| 6b (CH3) | 20.7 |
| 7a (C) | 175.6 |
| 7b (CH) | 34.4 |
| 7c (CH3) | 18.9 |
| 7ba (CH3) | 18.2 |
| 8a (C) | 169.5 |
| 8b (CH3) | 20.7 |
| 9a (C) | 169.2 |
| 9b (CH3) | 20.3 |
