Spektraris NMR
Caesalpinin N
Common Name: Caesalpinin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-12(24)28-18-5-7-20(2,3)22(26)10-16(25)19-14(11-23)13-6-8-27-17(13)9-15(19)21(18,22)4/h6,8,11,14-16,18-19,25-26H,5,7,9-10H2,1-4H3/t14-,15+,16+,18+,19+,21+,22-/m1/s1
InChIKey: InChIKey=ANSREVRTPGYVNC-MLHGQPGMSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Linn, T.Z., Tezuka, Y., Kalauni, S.K., Banskota, A.H., Attamimi, F., Ueda, J.Y., Kadota, S. Chem Pharm Bull (2006) 54, 213-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 75.5 |
| 2 (CH2) | 22.5 |
| 3 (CH2) | 29.9 |
| 4 (C) | 38.4 |
| 5 (C) | 78.7 |
| 6 (CH2) | 35.7 |
| 7 (CH) | 72.4 |
| 8 (CH) | 40.4 |
| 9 (CH) | 36 |
| 10 (C) | 43.3 |
| 11 (CH2) | 21.5 |
| 12 (C) | 151.1 |
| 13 (C) | 110.6 |
| 14 (CH) | 53.5 |
| 15 (CH) | 109 |
| 16 (CH) | 141.7 |
| 17 (CH) | 201.5 |
| 18 (CH3) | 28 |
| 19 (CH3) | 25 |
| 20 (CH3) | 17.6 |
| 1a (C) | 169 |
| 1b (CH3) | 21.6 |
