Spektraris NMR
Kansuinin G
Common Name: Kansuinin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H43NO12/c1-16-14-34(47-22(7)39)26(27(16)43-20(5)37)28(44-21(6)38)17(2)24(42-19(4)36)13-25(45-32(41)23-11-10-12-35-15-23)33(8,9)31-29(46-31)18(3)30(34)40/h10-12,15-16,18,24-29,31H,2,13-14H2,1,3-9H3/t16-,18+,24+,25+,26+,27-,28-,29-,31-,34+/m0/s1
InChIKey: InChIKey=YAQJUDMDTLVWQD-YNOHZDOLSA-N
Formula: C34H43N1O12
Molecular Weight: 657.706075
Exact Mass: 657.278526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pan, Q., Ip, F.C., Ip, N.Y., Zhu, H.X., Min, Z.D. J Nat Prod (2004) 67, 1548-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 46.9 |
| 2 (CH) | 39.1 |
| 3 (CH) | 75.8 |
| 4 (CH) | 54.6 |
| 5 (CH) | 68.3 |
| 6 (C) | 138.9 |
| 7 (CH) | 69.5 |
| 8 (CH2) | 31.7 |
| 9 (CH) | 73 |
| 10 (C) | 39.8 |
| 11 (CH) | 63.7 |
| 12 (CH) | 58.8 |
| 13 (CH) | 43.3 |
| 14 (C) | 216.6 |
| 15 (C) | 92.8 |
| 16 (CH3) | 13.1 |
| 17 (CH2) | 114.5 |
| 18 (CH3) | 12.8 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 16.9 |
| 3a (C) | 169.4 |
| 3b (CH3) | 21.2 |
| 5a (C) | 169.2 |
| 5b (CH3) | 20.9 |
| 7a (C) | 169.1 |
| 7b (CH3) | 20.4 |
| 9a (C) | 163.2 |
| 9b (C) | 126.2 |
| 9c (CH) | 150.1 |
| 9d (CH) | 153 |
| 9e (CH) | 137.4 |
| 9f (CH) | 123.6 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.1 |
