Spektraris NMR
Henriol A
Common Name: Henriol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H42O14/c1-15-7-8-49-25(40)5-6-26(41)50-13-17-18-11-23-34(3,19-9-22(19)37(23,47)14-51-30(15)42)24-12-36(46)21-10-20(21)35(4)29(36)28(38(18,24)52-32(17)44)27-16(2)31(43)53-39(27,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23-,24+,33-,34+,35+,36+,37+,38+,39+/m1/s1
InChIKey: InChIKey=VAOZXVGMCZGLOH-BQPKVCGRSA-N
Formula: C39H42O14
Molecular Weight: 734.743881
Exact Mass: 734.257456
NMR Solvent: CD3COCD3
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) | 29.8 |
| 2 (CH2) | 10.5 |
| 3 (CH) | 31.2 |
| 4 (C) | 77.6 |
| 5 (C) | 164.4 |
| 6 (C) | 123.7 |
| 7 (C) | 124.6 |
| 8 (C) | 104.2 |
| 9 (CH) | 79.3 |
| 10 (C) | 50.5 |
| 11 (C) | 153.4 |
| 12 (C) | 172.8 |
| 13 (CH3) | 10.7 |
| 14 (CH3) | 14.2 |
| 15 (CH2) | 41.3 |
| 1' (CH) | 27.4 |
| 2' (CH2) | 9.4 |
| 3' (CH) | 29.2 |
| 4' (C) | 77.6 |
| 5' (CH) | 55.8 |
| 6' (CH2) | 24.2 |
| 7' (C) | 175.9 |
| 8' (C) | 86.3 |
| 9' (CH) | 51.5 |
| 10' (C) | 46.1 |
| 11' (C) | 123.4 |
| 12' (C) | 172.8 |
| 13' (CH2) | 54.7 |
| 14' (CH3) | 24.4 |
| 15' (CH2) | 74.4 |
| 1'' (C) | 167.6 |
| 2'' (C) | 129.4 |
| 3'' (CH) | 137.1 |
| 4'' (CH2) | 62.3 |
| 5'' (CH3) | 12.8 |
| 6'' (C) | 173.1 |
| 7'' (CH2) | 29.2 |
| 8'' (CH2) | 29.1 |
| 9'' (C) | 172 |
