Spektraris NMR
Tenuifoliside E
Common Name: Tenuifoliside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H48O22/c1-20(42)55-18-31-37(58-22(3)44)36(51)38(59-23(4)45)40(60-31)63-41(19-57-21(2)43)39(61-33(48)13-9-24-8-11-26(46)27(14-24)52-5)35(50)30(62-41)17-56-32(47)12-10-25-15-28(53-6)34(49)29(16-25)54-7/h8-16,30-31,35-40,46,49-51H,17-19H2,1-7H3/b12-10+,13-9+/t30-,31-,35-,36+,37-,38-,39+,40+,41+/m1/s1
InChIKey: InChIKey=ZJJASXKWRABDMH-CHMSDGEASA-N
Formula: C41H48O22
Molecular Weight: 892.808236
Exact Mass: 892.263723
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ikeya, Y., Sugama, K., Maruno, M. Chem Pharm Bull (1994) 42, 2305-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 (C) | 126.8 |
| 2 (CH) | 107.1 |
| 3 (C) | 149.6 |
| 4 (C) | 139.9 |
| 5 (C) | 149.6 |
| 6 (CH) | 107.1 |
| 7 (CH) | 147.5 |
| 8 (CH) | 115.7 |
| 9 (C) | 168.8 |
| 1' (C) | 127.6 |
| 2' (CH) | 112 |
| 3' (C) | 149.6 |
| 4' (C) | 151.2 |
| 5' (CH) | 116.7 |
| 6' (CH) | 124.6 |
| 7' (CH) | 148.3 |
| 8' (CH) | 114.8 |
| 9' (C) | 168.1 |
| 1'' (CH2) | 66.7 |
| 2'' (C) | 104 |
| 3'' (CH) | 79.6 |
| 4'' (CH) | 73.8 |
| 5'' (CH) | 81.6 |
| 6'' (CH2) | 64.6 |
| 1''' (CH) | 90.5 |
| 2''' (CH) | 74 |
| 3''' (CH) | 69.9 |
| 4''' (CH) | 72.4 |
| 5''' (CH) | 70.1 |
| 6''' (CH2) | 64.2 |
| 3a (CH3) | 57 |
| 5a (CH3) | 57 |
| 3'a (CH3) | 56.7 |
| 1''a (C) | 171.8 |
| 1''b (CH3) | 20.7 |
| 2'''a (C) | 172.1 |
| 2'''b (CH3) | 20.7 |
| 4'''a (C) | 172.2 |
| 4'''b (CH3) | 20.8 |
| 6'''a (C) | 172.7 |
| 6'''b (CH3) | 21 |
