Spektraris NMR
Asiaticoside C
Common Name: Asiaticoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C50H80O20/c1-21-11-14-50(16-15-48(7)25(31(50)22(21)2)9-10-30-46(5)17-26(53)41(62)47(6,20-65-24(4)52)29(46)12-13-49(30,48)8)45(63)70-44-38(60)35(57)33(55)28(68-44)19-64-42-39(61)36(58)40(27(18-51)67-42)69-43-37(59)34(56)32(54)23(3)66-43/h9,21-23,26-44,51,53-62H,10-20H2,1-8H3/t21-,22+,23+,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+,46+,47+,48-,49-,50+/m1/s1
InChIKey: InChIKey=HUHPZZGDDVIBQX-OZJGUFQDSA-N
Formula: C50H80O20
Molecular Weight: 1001.160154
Exact Mass: 1000.524295
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, Z.Y., Zhang, X.M., Zhou, J., Chen, J.J. Helv Chim Acta (2005) 88, 297-303
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 48 |
| 2 (CH) | 68.5 |
| 3 (CH) | 78 |
| 4 (C) | 42.9 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.3 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 126 |
| 13 (C) | 138.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 24.7 |
| 17 (C) | 48.5 |
| 18 (CH) | 53.3 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.2 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 36.9 |
| 23 (CH2) | 66.7 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 23.6 |
| 28 (C) | 176.4 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 20.8 |
| 1' (CH) | 95.7 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 69.5 |
| 1'' (CH) | 105 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 78.8 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.4 |
| 6''' (CH3) | 18.6 |
| 23a (C) | 170.8 |
| 23b (CH3) | 21.3 |
