Spektraris NMR
Meranzin hydrate
Common Name: Meranzin hydrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
InChIKey: InChIKey=KGGUASRIGLRPAX-UHFFFAOYSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhou, P., Takaishi, Y., Duan, H., Chen, B., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K., Lee, K.H. Phytochemistry (2000) 53, 689-97
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) | 163.8 |
| 3 (CH) | 113 |
| 4 (CH) | 146.4 |
| 5 (CH) | 128.4 |
| 6 (CH) | 109 |
| 7 (C) | 162.6 |
| 8 (C) | 117.2 |
| 9 (C) | 154.7 |
| 10 (C) | 114.4 |
| 7a (CH3) | 56.7 |
| 8a (CH2) | 26.3 |
| 8b (CH) | 78.8 |
| 8c (C) | 74.1 |
| 8d (CH3) | 25.6 |
| 8e (CH3) | 25.5 |
