Spektraris NMR
Asiaticoside D
Common Name: Asiaticoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-20-11-14-48(16-15-46(7)23(29(48)21(20)2)9-10-28-45(6)17-24(50)39(59)44(4,5)27(45)12-13-47(28,46)8)43(60)66-42-36(57)33(54)31(52)26(64-42)19-61-40-37(58)34(55)38(25(18-49)63-40)65-41-35(56)32(53)30(51)22(3)62-41/h9,20-22,24-42,49-59H,10-19H2,1-8H3/t20-,21+,22+,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,45+,46-,47-,48+/m1/s1
InChIKey: InChIKey=SDRICUDLBWDVDW-MLIMLZMFSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
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 |
| 2 (CH) | 68.7 |
| 3 (CH) | 83.9 |
| 4 (C) | 40.2 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.5 |
| 8 (C) | 18.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 35.5 |
| 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) | 53.2 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.1 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 36.9 |
| 23 (CH3) | 29.7 |
| 24 (CH3) | 18.6 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 23.8 |
| 28 (C) | 176.3 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 21.4 |
| 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) | 77.1 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.3 |
| 6''' (CH3) | 18.6 |
