Spektraris NMR
Kansuinin E
Common Name: Kansuinin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H47NO14/c1-20-18-41(56-26(7)46)29(30(20)50-23(4)43)31(51-24(5)44)21(2)32(52-25(6)45)34(54-38(48)27-14-11-10-12-15-27)37(55-39(49)28-16-13-17-42-19-28)40(8,9)36-33(53-36)22(3)35(41)47/h10-17,19-20,22,29-34,36-37H,2,18H2,1,3-9H3/t20-,22?,29+,30-,31-,32?,33?,34?,36?,37?,41+/m0/s1
InChIKey: InChIKey=ILKUUGNKCOAKED-CTYISLCASA-N
Formula: C41H47N1O14
Molecular Weight: 777.811799
Exact Mass: 777.299655
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) | 45.8 |
| 2 (CH) | 38.7 |
| 3 (CH) | 75.7 |
| 4 (CH) | 54.6 |
| 5 (CH) | 68.1 |
| 6 (C) | 143.2 |
| 7 (CH) | 70.6 |
| 8 (CH) | 69.1 |
| 9 (CH) | 79.6 |
| 10 (C) | 38.8 |
| 11 (CH) | 61.5 |
| 12 (CH) | 57.9 |
| 13 (CH) | 43.6 |
| 14 (C) | 216.5 |
| 15 (C) | 93.3 |
| 16 (CH3) | 13.3 |
| 17 (CH2) | 111.8 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 25.5 |
| 20 (CH3) | 17.4 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.4 |
| 5a (C) | 169.6 |
| 5b (CH3) | 20.9 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.2 |
| 8a (C) | 164.6 |
| 8b (C) | 129.3 |
| 8c (CH) | 129.9 |
| 8d (CH) | 128.5 |
| 8e (CH) | 133.4 |
| 8f (CH) | 128.5 |
| 8g (CH) | 129.9 |
| 9a (C) | 163.8 |
| 9b (C) | 137.3 |
| 9c (CH) | 151.4 |
| 9e (CH) | 154.1 |
| 9f (CH) | 123.7 |
| 9g (CH) | 143.2 |
| 15a (C) | 168.8 |
| 15b (CH3) | 20.3 |
