Spektraris NMR
1-O-acetyl-9-O-demethlylpluviine
Common Name: 1-O-acetyl-9-O-demethlylpluviine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H23NO4/c1-10(20)23-15-4-3-11-5-6-19-9-12-7-14(21)16(22-2)8-13(12)17(15)18(11)19/h7-8,11,15,17-18,21H,3-6,9H2,1-2H3/t11?,15-,17-,18-/m1/s1
InChIKey: InChIKey=SMJKZXYLRZQMCQ-LHVJEYQWSA-N
Formula: C18H23N1O4
Molecular Weight: 317.380246
Exact Mass: 317.162708
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Koorbanally, N., Mulholland, D.A., Crouch, N. Phytochemistry (2000) 54, 93-7
Species:
Notes: Family : Alkaloids, Type : Isoquinolines; 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) | 67.6 |
| 2 (CH2) | 34.2 |
| 3 (CH2) | 115.9 |
| 4 (CH2) | 29.2 |
| 5 (CH2) | 54.7 |
| 7 (CH2) | 57.1 |
| 8 (CH) | 114.9 |
| 9 (C) | 147.8 |
| 10 (C) | 146.2 |
| 11 (CH) | 109.5 |
| 1a (C) | 172.4 |
| 1b (CH3) | 21 |
| 3a (CH) | 139.8 |
| 7a (C) | 129.3 |
| 10a (CH3) | 56.4 |
| 11a (C) | 126.3 |
| 11b (CH) | 44.1 |
| 11c (CH) | 62.8 |
