Spektraris NMR
Kahiricoside V
Common Name: Kahiricoside V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-20(18-53-36-33(51)31(49)29(47)24(16-43)54-36)8-7-9-21(2)28-23(46)15-40(6)26-14-22(45)35-38(3,4)27(56-37-34(52)32(50)30(48)25(17-44)55-37)10-11-42(35)19-41(26,42)13-12-39(28,40)5/h8,21-37,43-52H,7,9-19H2,1-6H3/b20-8+/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36-,37+,39-,40+,41+,42-/m1/s1
InChIKey: InChIKey=KBVYCBSBCPJPRP-SGJUYERBSA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
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) | 32.5 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 89.1 |
| 4 (C) | 42.7 |
| 5 (CH) | 54.1 |
| 6 (CH) | 68 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.3 |
| 10 (C) | 29.3 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.8 |
| 14 (C) | 47.1 |
| 15 (CH2) | 49.7 |
| 16 (CH) | 71.4 |
| 17 (CH) | 57 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 30 |
| 20 (CH) | 30.8 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 36.6 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 129.6 |
| 25 (C) | 131.8 |
| 26 (CH2) | 75.3 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 29 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 20.3 |
| 1' (CH) | 107 |
| 2' (CH) | 76 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 103.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 63 |
