Spektraris NMR
Neocaesalpin F
Common Name: Neocaesalpin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-16-18-14-20(29)35-27(18,33-5)15-19-21(16)22(30)23(34-24(31)17-10-7-6-8-11-17)28(32)25(2,3)12-9-13-26(19,28)4/h6-8,10-11,14,16,19,21-23,30,32H,9,12-13,15H2,1-5H3/t16-,19-,21-,22+,23+,26+,27+,28+/m0/s1
InChIKey: InChIKey=XOEYPDLMHSWXIW-ZUYZVAOBSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roach, J.S., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1378-81
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 (CH2) | 34.7 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 37.7 |
| 4 (C) | 39.2 |
| 5 (C) | 78 |
| 6 (CH) | 73.7 |
| 7 (CH) | 68.1 |
| 8 (CH) | 42.3 |
| 9 (CH) | 36.8 |
| 10 (C) | 40.9 |
| 11 (CH2) | 37.2 |
| 12 (C) | 108 |
| 13 (C) | 170.2 |
| 14 (CH) | 32.4 |
| 15 (CH) | 116 |
| 16 (C) | 171.1 |
| 17 (CH3) | 11.2 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 25.4 |
| 6a (C) | 167.5 |
| 6b (C) | 129.6 |
| 6c (CH) | 129.9 |
| 6d (CH) | 128.7 |
| 6e (CH) | 133.5 |
| 6f (CH) | 128.7 |
| 6g (CH) | 129.9 |
| 12a (CH3) | 50.9 |
