12,20-Di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside
[CAS# 126005-93-4]

Identification

• Name: 12,20-Di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside
• Synonyms: [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[5-[5-[3-Hydroxy-4-Methoxy-6-Methyl-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[[5-[[5-[[3-Hydroxy-4-Methoxy-6-Methyl-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester; 3-Methylbutyric Acid [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[5-[5-[3-Hydroxy-4-Methoxy-6-Methyl-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₅₃H₉₀O₂₂
• Molecular Weight: 1079.28
• CAS Registry Number: 126005-93-4
• SMILES: C(C1OC(C(C(C1O)O)O)OC2C(OC(C(C2OC)O)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC7CCC6(C5CC(C8(C(C5(CCC6C7)O)(CCC8(C(C)O)O)O)C)OC(CC(C)C)=O)C)C)C)C)O
• InChI: 1S/C53H90O22/c1-24(2)18-36(56)72-35-22-34-49(7)14-13-30(19-29(49)12-15-52(34,62)53(63)17-16-51(61,28(6)55)50(35,53)8)70-37-20-31(64-9)43(25(3)67-37)73-38-21-32(65-10)44(26(4)68-38)74-48-42(60)46(66-11)45(27(5)69-48)75-47-41(59)40(58)39(57)33(23-54)71-47/h24-35,37-48,54-55,57-63H,12-23H2,1-11H3
• InChIKey: CEJNPQORURWPJT-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 1020.783°C at 760 mmHg (Cal.)
• Flash point: 276.926°C (Cal.)