12-O-Benzoyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl(1-4)-O-beta-D-oleandropyranosyl(1-4)-O-beta-D-cymaropyranoside
[CAS# 139953-35-8]

Identification

• Name: 12-O-Benzoyl-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] Benzoate; Benzoic 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; Benzoic 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: C₄₉H₇₆O₁₇
• Molecular Weight: 937.13
• CAS Registry Number: 139953-35-8
• SMILES: C8=C(C(OC2C1(C(CCC1(C3(O)C(C2)C4(C(CC3)CC(CC4)OC5OC(C(C(C5)OC)OC7OC(C(OC6OC(C(C(OC)C6O)O)C)C(C7)OC)C)C)C)O)(C(C)O)O)C)=O)C=CC=C8
• InChI: 1S/C49H76O17/c1-25-38(51)42(59-9)39(52)44(62-25)66-41-27(3)61-37(23-33(41)58-8)65-40-26(2)60-36(22-32(40)57-7)63-31-16-17-45(5)30(21-31)15-18-48(55)34(45)24-35(64-43(53)29-13-11-10-12-14-29)46(6)47(54,28(4)50)19-20-49(46,48)56/h10-14,25-28,30-42,44,50-52,54-56H,15-24H2,1-9H3
• InChIKey: OVOSPCKCJQHZPN-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 935.768°C at 760 mmHg (Cal.)
• Flash point: 262.23°C (Cal.)