Spektraris NMR
Kansuinin H
Common Name: Kansuinin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O16/c1-17-27(47-19(3)38)25-30(49-21(5)40)35(10,45)16-36(25,52-23(7)42)37(46)18(2)26(43)31(53-37)34(8,9)32(50-22(6)41)29(28(17)48-20(4)39)51-33(44)24-14-12-11-13-15-24/h11-15,18,25,27-32,45-46H,1,16H2,2-10H3/t18-,25+,27+,28+,29-,30-,31+,32-,35-,36-,37-/m1/s1
InChIKey: InChIKey=JUCOOGZXMGBGJB-QJSVZWSMSA-N
Formula: C37H46O16
Molecular Weight: 746.752982
Exact Mass: 746.278585
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 |
| 2 (C) | 78.9 |
| 3 (CH) | 77.8 |
| 4 (CH) | 50.2 |
| 5 (CH) | 70.5 |
| 6 (C) | 147.7 |
| 7 (CH) | 69.5 |
| 8 (CH) | 72.6 |
| 9 (CH) | 82.6 |
| 10 (C) | 41.8 |
| 11 (CH) | 77.4 |
| 12 (C) | 215.5 |
| 13 (CH) | 51.5 |
| 14 (C) | 107.4 |
| 15 (C) | 90.5 |
| 16 (CH3) | 21.4 |
| 17 (CH2) | 108.1 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 9.94 |
| 3a (C) | 169.8 |
| 3b (CH3) | 20.4 |
| 5a (C) | 169.3 |
| 5b (CH3) | 20.9 |
| 7a (C) | 169.9 |
| 7b (CH3) | 20.9 |
| 8a (C) | 166.1 |
| 8b (C) | 131 |
| 8c (CH) | 130.2 |
| 8d (CH) | 128.8 |
| 8e (CH) | 133.3 |
| 8f (CH) | 128.8 |
| 8g (CH) | 130.2 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.8 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.4 |
