Hainaneoside A
[CAS# 156891-23-5]

Identification

• Name: Hainaneoside A
• Synonyms: [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[5-[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-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[[5-[[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]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester; Nicotinic Acid [8,14,17-Trihydroxy-17-(1-Hydroxyethyl)-3-[5-[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-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₆₁H₉₅NO₂₅
• Molecular Weight: 1242.41
• CAS Registry Number: 156891-23-5
• SMILES: C1=NC=CC=C1C(OC3C%10(C(C2(CC=C9C(C2C3)(CCC(OC8OC(C(OC7OC(C(OC6OC(C(OC4C(C(OC)C(C(O4)C)OC5C(C(O)C(C(O5)CO)O)O)O)C(C6)OC)C)C(C7)OC)C)C(C8)OC)C)C9)C)O)(CCC%10(C(O)C)O)O)C)=O
• InChI: 1S/C61H95NO25/c1-28-49(36(73-8)22-42(77-28)81-35-15-16-57(6)34(21-35)14-17-60(71)40(57)25-41(83-54(69)33-13-12-20-62-26-33)58(7)59(70,32(5)64)18-19-61(58,60)72)84-43-23-37(74-9)50(29(2)78-43)85-44-24-38(75-10)51(30(3)79-44)86-56-48(68)53(76-11)52(31(4)80-56)87-55-47(67)46(66)45(65)39(27-63)82-55/h12-14,20,26,28-32,35-53,55-56,63-68,70-72H,15-19,21-25,27H2,1-11H3
• InChIKey: RGGYEMBOCOZNNC-UHFFFAOYSA-N

Properties

• Density: 1.402g/cm³ (Cal.)