12-O-Cinnamoyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl(1-4)-O-beta-D-oleandropyranosyl(1-4)-O-beta-D-cymaropyranoside
[CAS# 139953-36-9]

Identification

• Name: 12-O-Cinnamoyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl(1-4)-O-beta-D-oleandropyranosyl(1-4)-O-beta-D-cymaropyranoside
• Synonyms: [3-[5-[5-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] (E)-3-Phenylprop-2-Enoate; (E)-3-Phenylprop-2-Enoic Acid [3-[[5-[[5-[(3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester; (E)-3-Phenylacrylic Acid [3-[5-[5-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₅₁H₇₈O₁₇
• Molecular Weight: 963.17
• CAS Registry Number: 139953-36-9
• SMILES: C8=C(/C=C/C(OC2C1(C(CCC1(C3(C(C2)C4(C(CC3)CC(CC4)OC7OC(C(OC6OC(C(OC5OC(C(C(C5O)OC)O)C)C(C6)OC)C)C(C7)OC)C)C)O)O)(C(C)O)O)C)=O)C=CC=C8
• InChI: 1S/C51H78O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-16,27-30,32-37,39-46,52,54-58H,17-26H2,1-9H3/b16-15+
• InChIKey: PHHVCGYLKLDQTE-FOCLMDBBSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 959.275°C at 760 mmHg (Cal.)
• Flash point: 266.761°C (Cal.)