Spektraris NMR
Caesalpinin C
Common Name: Caesalpinin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1
InChIKey: InChIKey=MYVHVFGKOZGBLW-RAMHWAOYSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Linn, T.Z., Awale, S., Tezuka, Y., Banskota, A.H., Kalauni, S.K., Attamimi, F., Ueda, J.Y., Asih, P.B., Syafruddin, D., Tanaka, K., Kadota, S. J Nat Prod (2005) 68, 706-10
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) | 73.8 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 76.9 |
| 4 (C) | 41.6 |
| 5 (C) | 76.7 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 35.1 |
| 9 (CH) | 38.7 |
| 10 (C) | 43.8 |
| 11 (CH2) | 26.5 |
| 12 (C) | 151.3 |
| 13 (C) | 119.1 |
| 14 (C) | 142.2 |
| 15 (CH) | 106.3 |
| 16 (CH) | 141.5 |
| 17 (CH2) | 104.3 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 25.4 |
| 20 (CH3) | 18 |
| 1a (C) | 169.4 |
| 1b (CH3) | 21.4 |
| 3a (C) | 169.3 |
| 3b (CH3) | 21.1 |
