Spektraris NMR
7-Hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2í-dimethyl-2H,6H-benzo[1,2-b:3,4-bí]-dip
![7-Hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2í-dimethyl-2H,6H-benzo[1,2-b:3,4-bí]-dip](/nmr/static/nmr/svg/8424.svg)
Common Name: 7-Hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2í-dimethyl-2H,6H-benzo[1,2-b:3,4-bí]-dip
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H32O7/c1-5-9-21-17-25(34)37-30-26(21)29-22(14-15-31(3,4)38-29)28(35)27(30)23(32)16-19(2)18-36-24(33)13-12-20-10-7-6-8-11-20/h6-8,10-15,17,19,35H,5,9,16,18H2,1-4H3/b13-12+
InChIKey: InChIKey=PAKDYXGEDSTRDX-OUKQBFOZSA-N
Formula: C31H32O7
Molecular Weight: 516.582751
Exact Mass: 516.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz, F.G., Santos, N.A.S., David, J.M., Guedes, M.L.S., Chavez, J.P. Phytochemistry (1998) 48, 703-6
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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 |
|---|---|
| 2 (C) | 159.5 |
| 3 (CH) | 111.2 |
| 4 (C) | 158.9 |
| 5 (C) | 157.3 |
| 6 (C) | 106.5 |
| 7 (C) | 163.4 |
| 8 (C) | 105.1 |
| 9 (C) | 157.8 |
| 10 (C) | 103.3 |
| 1' (CH2) | 39.5 |
| 2' (CH2) | 23.8 |
| 3' (CH3) | 14.5 |
| 6a (CH) | 116.4 |
| 6b (CH) | 126.9 |
| 6c (C) | 80.3 |
| 6d (CH3) | 28.8 |
| 6ca (CH3) | 28.8 |
| 8a (C) | 205.6 |
| 8b (CH2) | 49.4 |
| 8c (CH) | 30.7 |
| 8d (CH2) | 69.4 |
| 8e (C) | 167.3 |
| 8f (CH) | 118.6 |
| 8g (CH) | 145.2 |
| 8h (C) | 135.1 |
| 8i (CH) | 128.7 |
| 8j (CH) | 129.3 |
| 8k (CH) | 130.7 |
| 8l (CH) | 129.3 |
| 8m (CH) | 128.7 |
| 8ca (CH3) | 17.9 |
