Spektraris NMR
6,7,9a-Trihydroxy-3,8,11a-trimethylcyclohexo-[d,e]-coumarin
![6,7,9a-Trihydroxy-3,8,11a-trimethylcyclohexo-[d,e]-coumarin](/nmr/static/nmr/svg/19767.svg)
Common Name: 6,7,9a-Trihydroxy-3,8,11a-trimethylcyclohexo-[d,e]-coumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O5/c1-5-4-8(16)10-6(2)15(19)20-14-7(3)12(17)13(18)9(5)11(10)14/h5,8,16-18H,4H2,1-3H3/t5-,8+/m1/s1
InChIKey: InChIKey=VCBHABVPYYFXJS-XRGYYRRGSA-N
Formula: C15H16O5
Molecular Weight: 276.285115
Exact Mass: 276.099774
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen, W., Tang, W., Lou, L., Zhao, W. Phytochemistry (2006) 67, 1041-7
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 166.5 |
| 3 (C) | 119.2 |
| 4 (C) | 149.5 |
| 5 (C) | 126.2 |
| 6 (C) | 140.8 |
| 7 (C) | 147.7 |
| 8 (C) | 111 |
| 9 (C) | 149.3 |
| 10 (C) | 109.2 |
| 3a (CH3) | 12.5 |
| 4a (CH) | 65.2 |
| 4b (CH2) | 37.1 |
| 4c (CH) | 27.4 |
| 4ca (CH3) | 22.6 |
| 8a (CH3) | 8.9 |
