Spektraris NMR
Norcaesalpinin C
Common Name: Norcaesalpinin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O7/c1-12-15-7-8-23(28)21(4,5)10-19(29-13(2)25)20(30-14(3)26)22(23,6)17(15)9-18(27)16(12)11-24/h9,11,19-20,27-28H,7-8,10H2,1-6H3/t19-,20-,22-,23+/m0/s1
InChIKey: InChIKey=KWOVIFZNTAPYCQ-BAMDZGJYSA-N
Formula: C23H30O7
Molecular Weight: 418.480983
Exact Mass: 418.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Attamimi, F., Usia, T., Linn, T.Z., Tezuka, Y., Kalauni, S.K., Kadota, S. Tetrahedron Lett (2003) 44, 6879-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 74.2 |
| 2 (CH) | 67.5 |
| 3 (CH2) | 35.7 |
| 4 (C) | 39.9 |
| 5 (C) | 75.2 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 23.2 |
| 8 (C) | 125.7 |
| 9 (C) | 153.4 |
| 10 (C) | 48.7 |
| 11 (CH) | 110.9 |
| 12 (C) | 161.3 |
| 13 (C) | 117.2 |
| 14 (C) | 140.2 |
| 15 (CH) | 195.1 |
| 17 (CH3) | 13.4 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 25.6 |
| 20 (CH3) | 29.1 |
| 1a (C) | 21 |
| 1b (CH3) | 169 |
| 2a (C) | 21 |
| 2b (CH3) | 170.5 |
