Spektraris NMR
Terracinolides E
Common Name: Terracinolides E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H52O17/c1-11-29(48)55-37-32(52-23(3)43)36(54-25(5)45)39(8,9)19-17-22(2)33(50)42(58-27(7)47)21-40(10,57-26(6)46)34(53-24(4)44)31(42)35-41(37,20-18-30(49)56-35)59-38(51)28-15-13-12-14-16-28/h12-17,19,22,31-32,34-37H,11,18,20-21H2,1-10H3/b19-17+/t22-,31+,32-,34+,35+,36+,37+,40+,41?,42+/m0/s1
InChIKey: InChIKey=RWLVXMJEPKADFX-BGYLHIOJSA-N
Formula: C42H52O17
Molecular Weight: 828.853711
Exact Mass: 828.32045
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) | 49.3 |
| 2 (C) | 86.7 |
| 3 (CH) | 78.7 |
| 4 (CH) | 45.8 |
| 5 (CH) | 72.8 |
| 6 (C) | 80.5 |
| 7 (CH) | 67.7 |
| 8 (CH) | 67.8 |
| 9 (CH) | 81.7 |
| 10 (C) | 40 |
| 11 (CH) | 135.4 |
| 12 (CH) | 130.3 |
| 13 (CH) | 43.1 |
| 14 (C) | 202.2 |
| 15 (C) | 90.3 |
| 16 (CH3) | 18.3 |
| 17 (CH2) | 26.8 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 20.6 |
| 21 (CH2) | 29 |
| 22 (C) | 172.1 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21.1 |
| 3a (C) | 169.2 |
| 3b (CH3) | 20.6 |
| 6a (C) | 166 |
| 6b (C) | 133.7 |
| 6c (CH) | 130.3 |
| 6d (CH) | 128.2 |
| 6e (CH) | 129.7 |
| 6f (CH) | 128.2 |
| 6g (CH) | 130.3 |
| 7a (C) | 173.2 |
| 7b (CH2) | 27.4 |
| 7c (CH3) | 8.3 |
| 8a (C) | 169.7 |
| 8b (CH3) | 21 |
| 9a (C) | 168.5 |
| 9b (CH3) | 22.3 |
| 15a (C) | 169 |
| 15b (CH3) | 20.4 |
