Spektraris NMR
Kansuinin D
Common Name: Kansuinin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H47NO15/c1-20-18-40(56-26(7)46)29(31(20)51-23(4)43)32(52-24(5)44)21(2)33(53-25(6)45)34(54-37(48)27-14-11-10-12-15-27)36(55-38(49)28-16-13-17-42-19-28)39(8,9)35-30(47)22(3)41(40,50)57-35/h10-17,19-20,22,29,31-36,50H,2,18H2,1,3-9H3/t20-,22+,29+,31-,32-,33-,34+,35-,36+,40+,41+/m0/s1
InChIKey: InChIKey=SAPRIFGFGXNNHU-DJLDFQDYSA-N
Formula: C41H47N1O15
Molecular Weight: 793.811204
Exact Mass: 793.29457
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Wang, N.L., Yao, X.S., Miyata, S., Kitanaka, S. Chem Pharm Bull (2003) 51, 935-41
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) | 39.9 |
| 2 (CH) | 38.7 |
| 3 (CH) | 74.1 |
| 4 (CH) | 51.4 |
| 5 (CH) | 69.5 |
| 6 (C) | 144.7 |
| 7 (CH) | 69.1 |
| 8 (CH) | 71 |
| 9 (CH) | 83.3 |
| 10 (C) | 41.7 |
| 11 (CH) | 77.4 |
| 12 (C) | 213.6 |
| 13 (CH) | 50.9 |
| 14 (C) | 106.4 |
| 15 (C) | 90.5 |
| 16 (CH3) | 13.2 |
| 17 (CH2) | 109.9 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 9.18 |
| 3a (C) | 169.5 |
| 3b (CH3) | 21.2 |
| 5a (C) | 168.3 |
| 5b (CH3) | 20.8 |
| 7a (C) | 170 |
| 7b (CH3) | 20.3 |
| 8a (C) | 164.9 |
| 8b (C) | 129.7 |
| 8c (CH) | 129.5 |
| 8d (CH) | 127.8 |
| 8e (CH) | 133.1 |
| 8f (CH) | 127.8 |
| 8g (CH) | 129.5 |
| 9a (C) | 162.7 |
| 9b (C) | 125 |
| 9c (CH) | 150 |
| 9d (CH) | 152.7 |
| 9e (CH) | 123.2 |
| 9f (CH) | 137.4 |
| 15a (C) | 168.8 |
| 15b (CH3) | 21.9 |
