Spektraris NMR
Terracinolide B
Common Name: Terracinolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O17/c1-18(2)34(47)52-33-28(48-20(4)39)32(50-22(6)41)35(10,11)15-13-19(3)29(46)38(55-25(9)44)17-36(12,53-23(7)42)30(49-21(5)40)27(38)31-37(33,54-24(8)43)16-14-26(45)51-31/h13,15,18-19,27-28,30-33H,14,16-17H2,1-12H3/b15-13+/t19-,27+,28-,30+,31+,32+,33+,36+,37?,38+/m0/s1
InChIKey: InChIKey=CJVCPNYZFQYRIV-YNOJAMSLSA-N
Formula: C38H52O17
Molecular Weight: 780.810767
Exact Mass: 780.32045
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) | 49.3 |
| 2 (C) | 86.9 |
| 3 (CH) | 78.3 |
| 4 (CH) | 45.5 |
| 5 (CH) | 71.8 |
| 6 (C) | 80.2 |
| 7 (CH) | 66.5 |
| 8 (CH) | 67.1 |
| 9 (CH) | 81.6 |
| 10 (C) | 39.9 |
| 11 (CH) | 134.7 |
| 12 (CH) | 130.6 |
| 13 (CH) | 43.2 |
| 14 (C) | 204.1 |
| 15 (C) | 90.5 |
| 16 (CH3) | 18.3 |
| 17 (CH2) | 25.5 |
| 18 (CH3) | 26.2 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 20.6 |
| 21 (CH2) | 28.1 |
| 22 (C) | 172.1 |
| 2a (C) | 170 |
| 2b (CH3) | 20.9 |
| 3a (C) | 170 |
| 3b (CH3) | 20.6 |
| 6a (C) | 169.8 |
| 6b (CH3) | 20.6 |
| 7a (C) | 176.6 |
| 7b (CH) | 34.1 |
| 7c (CH3) | 18.7 |
| 7ba (CH3) | 17.9 |
| 8a (C) | 169.2 |
| 8b (CH3) | 22.7 |
| 9a (C) | 169 |
| 9b (CH3) | 22.3 |
| 15a (C) | 168.5 |
| 15b (CH3) | 21.2 |
