24-Hydroxy-Licoricesaponin A3

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Catalog Number ACM1262326475
CAS 1262326-47-5
IUPAC Name (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight 1001.07
Molecular Formula C48H72O22
Canonical SMILES CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O
Inchi InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)/t20-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,43+,44-,45-,46+,47+,48+/m0/s1
InChIKey TZCOLOGTIORRHN-ZKQBKYKCSA-N
Purity 98%
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