Spektraris NMR
Kansuinin C
Common Name: Kansuinin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O15/c1-17-16-36(51-24(8)42)26(28(17)46-20(4)38)29(47-21(5)39)18(2)30(48-22(6)40)31(50-34(44)25-14-12-11-13-15-25)33(49-23(7)41)35(9,10)32-27(43)19(3)37(36,45)52-32/h11-15,17,19,26,28-33,45H,2,16H2,1,3-10H3/t17-,19+,26+,28-,29-,30-,31+,32-,33+,36+,37+/m0/s1
InChIKey: InChIKey=VKHCUWUNVKZFBM-PNKWBUBPSA-N
Formula: C37H46O15
Molecular Weight: 730.753577
Exact Mass: 730.283671
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Wang, N.L., Yao, X.S., Miyata, S., Kitanaka, S. J Nat Prod (2002) 65, 1246-51
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) | 40.3 |
| 2 (CH) | 38.8 |
| 3 (CH) | 74.4 |
| 4 (CH) | 51.4 |
| 5 (CH) | 70.1 |
| 6 (C) | 145.4 |
| 7 (CH) | 69.1 |
| 8 (CH) | 71 |
| 9 (CH) | 82.4 |
| 10 (C) | 41.5 |
| 11 (CH) | 77.5 |
| 12 (C) | 214 |
| 13 (CH) | 50.7 |
| 14 (C) | 106.3 |
| 15 (C) | 90.6 |
| 16 (CH3) | 13.3 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 9.21 |
| 3a (C) | 169.5 |
| 3b (CH3) | 22 |
| 5a (C) | 170.2 |
| 5b (CH3) | 21.3 |
| 7a (C) | 168.8 |
| 7b (CH3) | 20.9 |
| 8a (C) | 165.4 |
| 8b (C) | 130.1 |
| 8c (CH) | 129.9 |
| 8d (CH) | 128.3 |
| 8e (CH) | 132.9 |
| 8f (CH) | 128.3 |
| 8g (CH) | 129.9 |
| 9a (C) | 169.2 |
| 9b (CH3) | 20.4 |
| 15a (C) | 170.3 |
| 15b (CH3) | 21.1 |
