Spektraris NMR
Kahiricoside III
Common Name: Kahiricoside III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H62O10/c1-20(17-39)9-8-10-21(2)28-24(43)16-36(7)26-15-23(42)32-34(4,5)27(11-12-38(32)19-37(26,38)14-13-35(28,36)6)48-33-31(46-22(3)41)30(45)29(44)25(18-40)47-33/h9,21,23-33,39-40,42-45H,8,10-19H2,1-7H3/b20-9+/t21-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33+,35-,36+,37+,38-/m1/s1
InChIKey: InChIKey=HTFXGXDOSNTRNI-IRUQZFSTSA-N
Formula: C38H62O10
Molecular Weight: 678.89434
Exact Mass: 678.434298
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Radwan, M.M., El-Sebakhy, N.A., Asaad, A.M., Toaima, S.M., Kingston, D.G. Phytochemistry (2004) 65, 2909-13
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.3 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 89.4 |
| 4 (C) | 42.3 |
| 5 (CH) | 54 |
| 6 (CH) | 68 |
| 7 (CH2) | 38.6 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.3 |
| 10 (C) | 29.2 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.8 |
| 14 (C) | 47.1 |
| 15 (CH2) | 49.3 |
| 16 (CH) | 71.3 |
| 17 (CH) | 57 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 30 |
| 20 (CH) | 30.8 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.9 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 125.8 |
| 25 (C) | 135.3 |
| 26 (CH2) | 68.3 |
| 27 (CH3) | 14 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 104 |
| 2' (CH) | 75.9 |
| 3' (CH) | 76.3 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.7 |
| 2'a (C) | 170.1 |
| 2'b (CH3) | 21.3 |
