Calotroposide A
[CAS# 146713-99-7]

Identification

• Name: Calotroposide A
• Synonyms: [17-Acetyl-8,14-Dihydroxy-3-[5-[5-[5-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-2,3,4,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Benzoate; Benzoic Acid [17-Acetyl-8,14-Dihydroxy-3-[[5-[[5-[[5-[[5-[(5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-2,3,4,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester; Benzoic Acid [17-Acetyl-8,14-Dihydroxy-3-[5-[5-[5-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-2,3,4,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₆₃H₉₆O₂₁
• Molecular Weight: 1189.44
• CAS Registry Number: 146713-99-7
• SMILES: C%10=C(C(OC8C9(C(C7(C(C6(CCC(OC5OC(C(OC4OC(C(OC3OC(C(OC2OC(C(OC1OC(C(O)C(C1)OC)C)C(C2)OC)C)C(C3)OC)C)C(C4)OC)C)C(C5)OC)C)CC6=CC7)C)C8)O)(CCC9C(=O)C)O)C)=O)C=CC=C%10
• InChI: 1S/C63H96O21/c1-32(64)41-21-24-63(68)61(41,8)48(80-59(66)38-17-15-14-16-18-38)31-47-60(7)22-20-40(25-39(60)19-23-62(47,63)67)79-49-27-43(70-10)55(34(3)75-49)82-51-29-45(72-12)57(36(5)77-51)84-53-30-46(73-13)58(37(6)78-53)83-52-28-44(71-11)56(35(4)76-52)81-50-26-42(69-9)54(65)33(2)74-50/h14-19,33-37,40-58,65,67-68H,20-31H2,1-13H3
• InChIKey: FURJPEDAWWWECD-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)