Spektraris NMR
Americanin
Common Name: Americanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O14/c1-44-26-9-5-20(15-28(26)45-2)12-22-18-47-35(43)23(22)13-21-6-10-27(29(16-21)46-3)48-36-33(42)34(32(41)30(17-37)49-36)50-31(40)11-7-19-4-8-24(38)25(39)14-19/h4-11,14-16,22-23,30,32-34,36-39,41-42H,12-13,17-18H2,1-3H3/b11-7+/t22-,23+,30-,32-,33-,34+,36-/m1/s1
InChIKey: InChIKey=OHQVJZXZOCBRIJ-LWUHOSIISA-N
Formula: C36H40O14
Molecular Weight: 696.695791
Exact Mass: 696.241806
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shoeb, M., MacManus, S.M., Kumarasamy, Y., Jaspars, M., Nahar, L., Thoo-Lin, P.K., Nazemiyeh, H., Sarker, S.D. Phytochemistry (2006) 67, 2370-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 133.5 |
| 2 (CH) | 109.2 |
| 3 (C) | 149.3 |
| 4 (C) | 145.8 |
| 5 (CH) | 116.8 |
| 6 (CH) | 121.7 |
| 7 (CH2) | 37.7 |
| 8 (CH) | 41.3 |
| 9 (CH2) | 71.7 |
| 1' (C) | 131.5 |
| 2' (CH) | 112.4 |
| 3' (C) | 149.6 |
| 4' (C) | 148 |
| 5' (CH) | 111.9 |
| 6' (CH) | 121 |
| 7' (CH2) | 34.2 |
| 8' (CH) | 46.4 |
| 9' (C) | 180.2 |
| 1'' (CH) | 101.1 |
| 2'' (CH) | 68.4 |
| 3'' (CH) | 77.4 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 61 |
| 3a (CH3) | 55.4 |
| 4a (CH3) | 55.5 |
| 3'a (CH3) | 55.6 |
| 3''a (C) | 167.8 |
| 3''b (CH) | 114 |
| 3''c (CH) | 145.6 |
| 3''d (C) | 126.7 |
| 3''e (CH) | 114.2 |
| 3''f (C) | 149.3 |
| 3''g (C) | 148.3 |
| 3''h (CH) | 115.3 |
| 3''i (CH) | 121.8 |
