Spektraris NMR
Norcaesalpinin MB
Common Name: Norcaesalpinin MB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O9/c1-12-16-8-9-25(31)23(5,6)21(33-14(3)28)20(32-13(2)27)22(34-15(4)29)24(25,7)18(16)10-19(30)17(12)11-26/h10-11,20-22,30-31H,8-9H2,1-7H3/t20-,21+,22-,24-,25+/m0/s1
InChIKey: InChIKey=BSSJUSJUQOTDJX-LJDQNPOQSA-N
Formula: C25H32O9
Molecular Weight: 476.517146
Exact Mass: 476.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. J Nat Prod (2004) 67, 1859-63
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) | 73.3 |
| 2 (CH) | 66 |
| 3 (CH) | 76.8 |
| 4 (C) | 42.9 |
| 5 (C) | 75.3 |
| 6 (CH2) | 24.2 |
| 7 (CH2) | 23.2 |
| 8 (C) | 125.2 |
| 9 (C) | 153.6 |
| 10 (C) | 48.9 |
| 11 (CH) | 111 |
| 12 (C) | 161.4 |
| 13 (C) | 117.2 |
| 14 (C) | 140.2 |
| 15 (CH) | 195.1 |
| 17 (CH3) | 13.4 |
| 18 (CH3) | 22.8 |
| 19 (CH3) | 25 |
| 20 (CH3) | 29.9 |
| 1a (C) | 169.9 |
| 1b (CH3) | 20.9 |
| 2a (C) | 169.4 |
| 2b (CH3) | 20.8 |
| 3a (C) | 169.3 |
| 3b (CH3) | 20.7 |
