(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[[4,5,7-triacetoxy-2-(3,4-diacetoxyphenyl)-4H-chromen-3-yl]oxy]-6-[[(2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-olate triacetate
[CAS# 94134-53-9]

Identification

• Name: (2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[[4,5,7-triacetoxy-2-(3,4-diacetoxyphenyl)-4H-chromen-3-yl]oxy]-6-[[(2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-olate triacetate
• Synonyms: 4,5,7-triacetoxy-2-[3,4-bis(acetoxy)phenyl]-4H-1-benzopyran-3-yl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside triacetate
• Molecular Formula: C₄₉H₅₆O₃₀
• Molecular Weight: 1124.95
• CAS Registry Number: 94134-53-9
• EINECS: 302-822-8
• SMILES: [O-]C(C)=O.[O-]C(C)=O.[O-]C(C)=O.CC(=O)Oc1ccc(cc1OC(C)=O)C=4Oc5cc(OC(C)=O)cc(OC(C)=O)c5C(OC(C)=O)C=4O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@H]3[O-]
• InChI: 1S/C43H47O24.3C2H4O2/c1-16-35(61-21(6)48)39(63-23(8)50)41(64-24(9)51)43(56-16)55-15-31-33(52)34(53)38(42(54)66-31)67-40-36(25-10-11-27(58-18(3)45)28(12-25)59-19(4)46)65-30-14-26(57-17(2)44)13-29(60-20(5)47)32(30)37(40)62-22(7)49;3*1-2(3)4/h10-14,16,31,33-35,37-39,41-43,52-53H,15H2,1-9H3;3*1H3,(H,3,4)/q-1;;;/p-3/t16-,31+,33+,34-,35-,37?,38+,39+,41+,42+,43+;;;/m0.../s1
• InChIKey: JORTXHRNTWNZKS-PVPSQCKNSA-K

Properties

• Boiling point: 1137°C at 760 mmHg (Cal.)
• Flash point: 315.9°C (Cal.)