Holothurin A
[CAS# 38-26-6]

Identification

• Name: Holothurin A
• Synonyms: Lanost-9(11)-En-18-Oic Acid, 22,25-Epoxy-12,17,20-Trihydroxy-3-((O-3-O-Methyl-Beta-D-Glucopyranosyl-(1-3)-O-Beta-D-Glucopyranosyl-(1-4)-O-6-Deoxy-Beta-D-Glucopyranosyl-(1-2)-4-O-Sulfo-Beta-D-Xylopyranosyl)Oxy)-, Gamma-Lactone, Monosodium Salt, (3-Beta,12-Alpha,22S)-
• Molecular Formula: C₅₄H₈₅NaO₂₇S
• Molecular Weight: 1221.30
• CAS Registry Number: 38-26-6
• SMILES: C(O)C%10OC(OC8C(O)C(O)C(OC7C(OC6C(C5C(C4=CC(O)C13C(O)(C(OC1=O)(C2OC(CC2)(C)C)C)CCC3(C4CC5)C)(CC6)C)(C)C)OCC(O[S]([O-])(=O)=O)C7O)OC8C)C(O)C(OC9OC(C(O)C(OC)C9O)CO)C%10O.[Na+]
• InChI: 1S/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1
• InChIKey: KXDQPKMJSMCBEY-UHFFFAOYSA-M