Asiaticoside

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Systematic / IUPAC Name: 6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3β)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose

ID: Reference5851

Other Names: Asiaticoside, 21;
Madecassol;
Ba 2742 ;
BRN 0078195 ;
FK1080 ; more

Formula: C48H78O19

Class: Endogenous Metabolites

Spectral Data

Asiaticoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 232
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 11:28:06 AM
View Mass Spec Data > >

Identificators

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
InChI Key WYQVAPGDARQUBT-FGWHUCSPSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
CAS 16830152
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Other Names Asiaticoside, 21;
Madecassol;
Ba 2742 ;
BRN 0078195 ;
FK1080 ;
NSC 36002 ;
NSC 166062

In Other Databases

ChemSpider 10128466
ChEBI CHEBI:79928
PubChem 11954171
KEGG C15428; D07576