Spektraris NMR
Romucosine H
Common Name: Romucosine H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H21NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-8,10,13,23H,9H2,1-4H3/t13-/m1/s1
InChIKey: InChIKey=UVEZNCDZLUAPDR-CYBMUJFWSA-N
Formula: C21H21N1O6
Molecular Weight: 383.395382
Exact Mass: 383.136887
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen C.Y., Chang F.R., Pan W.B., Wu Y.C. Phytochemistry (2001) 56, 753-7
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 (C) | 151.3 |
| 2 (C) | 149.4 |
| 3 (CH) | 118.8 |
| 4 (CH) | 29.1 |
| 5 (CH) | 42.6 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 111.7 |
| 9 (CH) | 111 |
| 10 (C) | 144.1 |
| 11 (C) | 142 |
| 12 (C) | 130.1 |
| 13 (CH) | 54 |
| 14 (C) | 129.8 |
| 15 (C) | 120.1 |
| 16 (C) | 125.6 |
| 18 (C) | 130.2 |
| 1a (CH3) | 62 |
| 2a (CH3) | 55.8 |
| 6a (C) | 155.6 |
| 6b (CH3) | 52.6 |
| 10a (CH3) | 56.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.