Common Name: Asiaticoside
Synonyms: Asiaticoside
CAS Registry Number:
InChI: InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
InChIKey: InChIKey=WYQVAPGDARQUBT-FGWHUCSPSA-N
Formula: C48H78O19
Molecular Weight: 959.123395
Exact Mass: 958.51373
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Maeda, C., Ohtani, K., Kasai, R., Yamasaki, K., Duc, N.M., Nham, N.T., Nguyen, K.Q.C. Phytochemistry (1994) 37, 1131-7
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)
Position | PPM |
---|---|
1 (CH2) | 47.8 |
2 (CH) | 68.9 |
3 (CH) | 78.1 |
4 (C) | 43.6 |
5 (CH) | 48.1 |
6 (CH2) | 18.4 |
7 (CH2) | 33.1 |
8 (C) | 40.2 |
9 (CH) | 48 |
10 (C) | 38.3 |
11 (CH2) | 23.8 |
12 (CH) | 126 |
13 (C) | 138.5 |
14 (C) | 42.5 |
15 (CH2) | 28.7 |
16 (CH2) | 24.5 |
17 (C) | 48.4 |
18 (CH) | 53.2 |
19 (CH) | 39.3 |
20 (CH) | 39 |
21 (CH2) | 30.8 |
22 (CH2) | 36.8 |
23 (CH2) | 66.4 |
24 (CH3) | 14.3 |
25 (CH3) | 17.6 |
26 (CH3) | 17.8 |
27 (CH3) | 23.7 |
28 (C) | 176.3 |
29 (CH3) | 17.3 |
30 (CH3) | 21.3 |
1' (CH) | 95.6 |
2' (CH) | 73.9 |
3' (CH) | 77.9 |
4' (CH) | 70.9 |
5' (CH) | 77.1 |
6' (CH2) | 69.3 |
1'' (CH) | 104.8 |
2'' (CH) | 75.3 |
3'' (CH) | 76.4 |
4'' (CH) | 78.6 |
5'' (CH) | 78.2 |
6'' (CH2) | 61.3 |
1''' (CH) | 102.6 |
2''' (CH) | 72.5 |
3''' (CH) | 72.7 |
4''' (CH) | 73.7 |
5''' (CH) | 70.2 |
6''' (CH3) | 18.4 |