| CAS Number | 41059-79-4 |
| Catalog Number | AG00I81F(AGN-PC-00E4FX) |
| Chemical Name | Timosaponin AIII |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18?,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1 |
| InChI Key | MMTWXUQMLQGAPC-HRSJJQGESA-N |
| MDL Number | MFCD01631164 |
| Molecular Formula | C39H64O13 |
| Molecular Weight | 740.9177 |
| SMILES | C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@H](C)CO8)[H])[H] |
| Synonyms | Timosaponin A-III,
Timosaponin A3,
41059-79-4,
AneMarsaponin A3,
C39H64O13,
Filiferin B;,
AKOS025311534,
O917,
059T794,
Q-100466,
3beta-[2-O-(beta-D-Glucopyranosyl)-beta-D-galactopyranosyloxy]-5beta-spirostane,
TIMOSAPONIN A1,
ACN-046908,
|