Spektraris NMR
Justicioside C
Common Name: Justicioside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O14/c1-38(2)11-13-43(20-54-37-34(32(51)30(49)25(19-45)56-37)57-36-33(52)31(50)29(48)24(18-44)55-36)14-12-40(5)21(22(43)17-38)15-23(53-8)35-41(40,6)10-9-26-39(3,4)27(46)16-28(47)42(26,35)7/h15,22-37,44-52H,9-14,16-20H2,1-8H3/t22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,40+,41+,42+,43+/m0/s1
InChIKey: InChIKey=FDHFCNJSNVRBDA-ZRTIRIHISA-N
Formula: C43H72O14
Molecular Weight: 813.025047
Exact Mass: 812.492207
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Ruchirawat, S., Kasai, R., Otsuka, H. Phytochemistry (2004) 65, 2613-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH) | 77.2 |
| 2 (CH2) | 37.1 |
| 3 (CH) | 75.2 |
| 4 (C) | 39.5 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.2 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.2 |
| 10 (C) | 45 |
| 11 (CH) | 74.3 |
| 12 (CH) | 122 |
| 13 (C) | 151.6 |
| 14 (C) | 44.2 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 21.9 |
| 17 (C) | 36.7 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 46.6 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 33.1 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 13.5 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 24.6 |
| 28 (CH2) | 76.4 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.8 |
| 1' (CH) | 103.5 |
| 2' (CH) | 82.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.6 |
| 1'' (CH) | 105.9 |
| 2'' (CH) | 76.9 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.7 |
| 11a (CH3) | 51.2 |
