Spektraris NMR
Terracinolides D
Common Name: Terracinolides D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H50O17/c1-21-16-18-38(8,9)35(53-24(4)44)31(51-22(2)42)36(54-25(5)45)40(58-37(50)28-14-12-11-13-15-28)19-17-29(48)55-34(40)30-33(52-23(3)43)39(10,56-26(6)46)20-41(30,32(21)49)57-27(7)47/h11-16,18,21,30-31,33-36H,17,19-20H2,1-10H3/b18-16+/t21-,30+,31-,33+,34+,35+,36+,39+,40?,41+/m0/s1
InChIKey: InChIKey=HXUOSHVQEFQFEB-UQHYVFBNSA-N
Formula: C41H50O17
Molecular Weight: 814.827093
Exact Mass: 814.3048
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A., Jakupovic, J. Phytochemistry (1997) 45, 137-40
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) | 48.4 |
| 2 (C) | 87 |
| 3 (CH) | 79.3 |
| 4 (CH) | 45.8 |
| 5 (CH) | 73 |
| 6 (C) | 80.2 |
| 7 (CH) | 67.7 |
| 8 (CH) | 67.8 |
| 9 (CH) | 81.6 |
| 10 (C) | 40 |
| 11 (CH) | 135.4 |
| 12 (CH) | 130.3 |
| 13 (CH) | 43.2 |
| 14 (C) | 202 |
| 15 (C) | 90.4 |
| 16 (CH3) | 18.4 |
| 17 (CH2) | 26.7 |
| 18 (CH3) | 25.8 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 20.6 |
| 21 (CH2) | 28.9 |
| 22 (C) | 172.1 |
| 2a (C) | 169.7 |
| 2b (CH3) | 22.3 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21 |
| 6a (C) | 165.9 |
| 6b (C) | 133.7 |
| 6c (CH) | 130.2 |
| 6d (CH) | 129.7 |
| 6e (CH) | 128.2 |
| 6f (CH) | 129.7 |
| 6g (CH) | 130.2 |
| 7a (C) | 169.4 |
| 7b (CH3) | 20.6 |
| 8a (C) | 168.8 |
| 8b (CH3) | 21.1 |
| 9a (C) | 169.3 |
| 9b (CH3) | 20.9 |
| 15a (C) | 168.5 |
| 15b (CH3) | 20.5 |
