Spektraris NMR
3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,4(3H)-dione
![3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,4(3H)-dione](/nmr/static/nmr/svg/11785.svg)
Common Name: 3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,4(3H)-dione
Synonyms: 3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,4(3H)-dione
CAS Registry Number:
InChI: InChI=1S/C29H30O7/c1-16(2)7-12-20-23-21(13-14-28(4,5)36-23)25-22(24(20)34-6)26(32)29(15-17(3)30,27(33)35-25)18-8-10-19(31)11-9-18/h7-11,13-14,31H,12,15H2,1-6H3
InChIKey: InChIKey=AUSJFHGDFPYQKK-UHFFFAOYSA-N
Formula: C29H30O7
Molecular Weight: 490.545398
Exact Mass: 490.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Magalhaes, A.F., Tozzi, A.M., Magalha s, E.G., de Souza Moraes, V.R. Phytochemistry (2001) 57, 77-89
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Pyranocoumarins; 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) | 169.1 |
| 3 (C) | 61.4 |
| 4 (C) | 187.6 |
| 5 (C) | 159.3 |
| 6 (C) | 106.4 |
| 7 (C) | 158.3 |
| 8 (C) | 120.8 |
| 9 (C) | 148.9 |
| 10 (C) | 105.7 |
| 1' (C) | 126 |
| 2' (CH) | 127.8 |
| 3' (CH) | 116.2 |
| 4' (C) | 155.9 |
| 5' (CH) | 116.2 |
| 6' (CH) | 127.8 |
| 2'' (C) | 78.3 |
| 3'' (CH) | 129.1 |
| 4'' (CH) | 115.3 |
| 5'' (CH3) | 28.5 |
| 6'' (CH3) | 28.4 |
| 3a (CH2) | 62.1 |
| 3b (C) | 205.9 |
| 3c (CH3) | 28.9 |
| 5a (CH3) | 51.7 |
| 6a (CH2) | 22 |
| 6b (CH) | 122.2 |
| 6c (C) | 131.6 |
| 6d (CH3) | 17.9 |
| 6e (CH3) | 25.7 |
