Spektraris NMR
Neocaesalpin G
Common Name: Neocaesalpin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O7/c1-18-20-16-23(32)37-29(20,35-5)17-21-24(18)25(33)26(30(34)27(2,3)14-9-15-28(21,30)4)36-22(31)13-12-19-10-7-6-8-11-19/h6-8,10-13,16,18,21,24-26,33-34H,9,14-15,17H2,1-5H3/b13-12+/t18-,21-,24-,25+,26+,28+,29+,30+/m0/s1
InChIKey: InChIKey=LJLXYFXCWJXAPZ-ZPZROSRQSA-N
Formula: C30H38O7
Molecular Weight: 510.61966
Exact Mass: 510.261754
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 |
| 3 (CH2) | 37.8 |
| 4 (C) | 39.2 |
| 5 (C) | 77.9 |
| 6 (CH) | 73.4 |
| 7 (CH) | 68.2 |
| 8 (CH) | 42.3 |
| 9 (CH) | 36.8 |
| 10 (C) | 41 |
| 11 (CH2) | 37.3 |
| 12 (C) | 108 |
| 13 (C) | 170.2 |
| 14 (CH) | 32.4 |
| 15 (CH) | 116 |
| 16 (C) | 171.2 |
| 17 (CH3) | 11.3 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 25.4 |
| 6a (C) | 167.6 |
| 6b (CH) | 117.5 |
| 6c (CH) | 146.4 |
| 6d (C) | 134 |
| 6e (CH) | 129 |
| 6f (CH) | 128.3 |
| 6g (CH) | 130.7 |
| 6h (CH) | 128.3 |
| 6i (CH) | 129 |
| 12a (CH3) | 50.9 |
