Spektraris NMR
Caesalpinin MB
Common Name: Caesalpinin MB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-13(24)29-18-7-9-21(2,3)23(26)10-6-14-16(22(18,23)4)12-17-15(8-11-28-17)19(14)20(25)27-5/h8,11,14,16,18-19,26H,6-7,9-10,12H2,1-5H3/t14-,16+,18+,19+,22+,23-/m1/s1
InChIKey: InChIKey=YKYVQVVITOKCCL-AOKVBNASSA-N
Formula: C23H32O6
Molecular Weight: 404.497459
Exact Mass: 404.219889
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) | 75.8 |
| 2 (CH2) | 22.5 |
| 3 (CH2) | 30.5 |
| 4 (C) | 38.4 |
| 5 (C) | 77.2 |
| 6 (CH2) | 25.2 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 34.7 |
| 9 (CH) | 37.3 |
| 10 (C) | 43.6 |
| 11 (CH2) | 21.7 |
| 12 (C) | 150.4 |
| 13 (C) | 113.9 |
| 14 (CH) | 48.1 |
| 15 (CH) | 108.7 |
| 16 (CH) | 141.1 |
| 17 (C) | 174.5 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 25.1 |
| 20 (CH3) | 17.3 |
| 1a (C) | 169 |
| 1b (CH3) | 21.5 |
| 17a (CH3) | 51.9 |
