Asiaticoside

Asiaticoside

Common Name: Asiaticoside

Synonyms:

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-CCWXDQGISA-N

Formula: C48H78O19

Molecular Weight: 959.123395

Exact Mass: 958.51373

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) 69
3 (CH) 78
4 (C) 43.6
5 (CH) 48
6 (CH2) 18.6
7 (CH2) 33.2
8 (C) 40.2
9 (CH) 48.2
10 (C) 38.4
11 (CH2) 23.9
12 (CH) 126
13 (C) 138.6
14 (C) 42.6
15 (CH2) 28.8
16 (CH2) 24.6
17 (C) 48.4
18 (CH) 53.2
19 (CH) 39.3
20 (CH) 39.1
21 (CH2) 30.8
22 (CH2) 36.9
23 (CH2) 66.7
24 (CH3) 14.4
25 (CH3) 17.8
26 (CH3) 17.7
27 (CH3) 23.8
28 (C) 176.4
29 (CH3) 17.4
30 (CH3) 21.3
1' (CH) 95.8
2' (CH) 73.8
3' (CH) 78.4
4' (CH) 70.9
5' (CH) 78
6' (CH2) 69.6
1'' (CH) 105.1
2'' (CH) 75.4
3'' (CH) 76.5
4'' (CH) 78.8
5'' (CH) 77.2
6'' (CH2) 61.3
1''' (CH) 102.6
2''' (CH) 72.7
3''' (CH) 72.8
4''' (CH) 74
5''' (CH) 70.3
6''' (CH3) 18.6