Ks 505A
[CAS# 131774-53-3]

Identification

• Name: Ks 505A
• Synonyms: Ks-505A; Beta-D-Glucopyranosiduronic Acid, 1-Carboxy-2,3,4,4A,4B,5,6,6A,6B,7,8,8A,8B,9,10,10A,14,16,17,17A,17B,18,19,19A,19B,20,21,21A,21B,22,23,23A-Dotriacontahydro-14-Hydroxy-8A,10A-Bis(Hydroxymethyl)-14-(3-Methoxy-3-Oxopropyl)-1,4,4A,6,6A,17B,19B,21B-Octameth; Beta-D-Glucopyranosiduronic Acid, 1-Carboxy-2,3,4,4A,4B,5,6,6A,6B,7,8,8A,8B,9,10,10A,14,16,17,17A,17B,18,19,19A,19B,20,21,21A,21B,22,23,23A-Dotriacontahydro-14-Hydroxy-8A,10A-Bis(Hydroxymethyl)-14-(3-Methoxy-3-Oxopropyl)-1,4,4A,6,6A,17B,19B,21B-Octamethyl-16-Oxo-1H-Benzo(9,10)Piceno(3,4-A)Furo(3,4-J)Xanthen-2-Yl 2-O-Methyl
• Molecular Formula: C₆₁H₈₈O₁₇
• Molecular Weight: 1093.36
• CAS Registry Number: 131774-53-3
• SMILES: C%10=C9OC8(C(C7(C(C6(C(C5(C(C4(C(C3(C(C2(C(C(C(OC1OC(C(O)C(O)C1OC)C(=O)O)CC2C)(C(=O)O)C)CC3)C)CC4C)C)CC5)C)CC6)C)CC7)CO)CC8)C)CC9=C%11C(=C%10)C(OC%11=O)(O)CCC(OC)=O)CO
• InChI: 1S/C61H88O17/c1-30-25-40-54(4,21-15-39-57(40,7)31(2)26-42(58(39,8)52(70)71)75-51-48(74-10)46(66)45(65)47(76-51)49(67)68)35-13-19-53(3)36(56(30,35)6)16-22-59(28-62)37(53)14-20-55(5)38(59)17-23-60(29-63)41(55)27-32-34(77-60)12-11-33-44(32)50(69)78-61(33,72)24-18-43(64)73-9/h11-12,30-31,35-42,45-48,51,62-63,65-66,72H,13-29H2,1-10H3,(H,67,68)(H,70,71)
• InChIKey: DBIAGVXGCNWASW-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)