Spektraris NMR
2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
![2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one](/nmr/static/nmr/svg/20573.svg)
Common Name: 2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-8-14(2)21(24)27-20-12-16(4)19(26-17(5)23)13-18(20)15(3)10-9-11-22(6,7)25/h8-9,11,15-16,18-20,25H,10,12-13H2,1-7H3/b11-9+,14-8-/t15-,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=LHGGSMFQENYPGC-XJWQYXFOSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, J.X., Lin, C.J., Yang, X.P., Jia, Z.J. Chem Biodiversity (2006) 3, 783-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 72.8 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 34 |
| 4 (CH) | 72.5 |
| 5 (CH2) | 28.3 |
| 6 (CH) | 38.6 |
| 7 (CH) | 31.1 |
| 8 (CH2) | 37.7 |
| 9 (CH) | 125.9 |
| 10 (CH) | 139.7 |
| 11 (C) | 70.8 |
| 12 (CH3) | 30.1 |
| 13 (CH3) | 30 |
| 14 (CH3) | 14.1 |
| 15 (CH3) | 17.7 |
| 1a (C) | 167.9 |
| 1b (C) | 128.4 |
| 1c (CH) | 137.7 |
| 1d (CH3) | 20.9 |
| 1e (CH3) | 16 |
| 4a (C) | 171.1 |
| 4b (CH3) | 21.4 |
