| CAS Number | 84680-75-1 |
| Catalog Number | AG00G3A7(AGN-PC-0USV1P) |
| Chemical Name | β-D-Glucopyranoside, (3β,6α,16β,20R,24S)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl |
| IUPAC Name | [(2S,3R,4S,5R)-3-acetyloxy-5-hydroxy-2-[[(1R,3R,6S,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-12,16-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate |
| InChI | InChI=1S/C43H68O16/c1-20(45)54-33-25(48)18-53-37(34(33)55-21(2)46)56-22-8-11-42-19-43(42)13-12-39(5)35(41(7)10-9-29(59-41)38(3,4)52)24(47)16-40(39,6)28(43)15-26(23(42)14-22)57-36-32(51)31(50)30(49)27(17-44)58-36/h22-37,44,47-52H,8-19H2,1-7H3/t22-,23?,24-,25+,26-,27+,28-,29-,30+,31-,32+,33-,34+,35-,36+,37-,39+,40-,41+,42+,43+/m0/s1 |
| InChI Key | GBPDDYORNLOZID-ZHIISFHXSA-N |
| MDL Number | MFCD30478908 |
| Molecular Formula | C45H72O16 |
| Molecular Weight | 869.0436 |
| SMILES | C[C@]12[C@H]3[C@]4([C@]5(C4)[C@@H]([C@H](C3)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C(C)(C)[C@H](CC5)O[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](CO3)O)CC[C@]1(C)[C@H]([C@H](C2)O)[C@]1(C)O[C@@H](CC1)C(C)(C)O |
| Synonyms | 84680-75-1,
Astragaloside-I,
C43H68O16,
MFCD00238542,
X1090,
ASTRAGALOSIDE cent inverted exclamation mark,
680A751,
3-O--(2\',3\'-di-O-acetyl)-D-xylopyranosyl-6-O--D-glucopyranosyl-cycloastragenol,
Astragaloside I,
astragaloside,
ASTRAGALOSIDEI,
|