Spektraris NMR
Henriol C
Common Name: Henriol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O13/c1-16-8-9-50-27(41)6-7-28(42)51-14-20-22-13-25-37(3,23-12-24(23)39(25,48)15-52-34(16)45)26-11-19-18-10-21(18)38(4)30(19)31(40(22,26)53-36(20)47)29(32(43)33(38)44)17(2)35(46)49-5/h8,18,21,23-26,31,33,44,48H,6-7,9-15H2,1-5H3/b16-8+,29-17+/t18-,21-,23-,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=NCEFZVURTXZBJM-ISHMMZPFSA-N
Formula: C40H44O13
Molecular Weight: 732.771093
Exact Mass: 732.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, C.J., Zhang, D.M., Luo, Y.M., Yu, S.S., Li, Y., Lu, Y. Phytochemistry (2008) 69, 2867-74
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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) | 26.1 |
| 2 (CH2) | 15.8 |
| 3 (CH) | 24.7 |
| 4 (C) | 141.2 |
| 5 (C) | 132.5 |
| 6 (CH) | 41.5 |
| 7 (C) | 134.6 |
| 8 (C) | 204.6 |
| 9 (CH) | 80.6 |
| 10 (C) | 50.2 |
| 11 (C) | 144.3 |
| 12 (C) | 169.1 |
| 13 (CH3) | 18.9 |
| 14 (CH3) | 15.2 |
| 15 (CH2) | 25.5 |
| 1' (CH) | 25.2 |
| 2' (CH2) | 11.4 |
| 3' (CH) | 27.9 |
| 4' (C) | 77 |
| 5' (CH) | 61.4 |
| 6' (CH2) | 24 |
| 7' (C) | 173.6 |
| 8' (C) | 93.2 |
| 9' (CH) | 55.6 |
| 10' (C) | 45 |
| 11' (C) | 123.2 |
| 12' (C) | 171.8 |
| 13' (CH2) | 54.8 |
| 14' (CH3) | 26.1 |
| 15' (CH2) | 72.8 |
| 1'' (C) | 167.4 |
| 2'' (C) | 129.4 |
| 3'' (CH) | 136 |
| 4'' (CH2) | 61.1 |
| 5'' (CH3) | 13.2 |
| 6'' (C) | 172.3 |
| 7'' (CH2) | 29.5 |
| 8'' (CH2) | 29.3 |
| 9'' (C) | 173.6 |
| 12a (CH3) | 52.8 |
