31-O-Demethyl-FK506
[CAS# 135635-47-1]

Identification

• Name: 31-O-Demethyl-FK506
• Synonyms: 31-O-Demethyl-Fk506; 15,19-Epoxy-3H-Pyrido(2,1-C)(1,4)Oxaazacyclotricosine-1,7,20,21(4H,23H)-Tetrone, 3-(2-(3,4-Dihydroxycyclohexyl)-1-Methylethenyl)- 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-Hexadecahydro-5,19-Dihydroxy-14,16-Dimethoxy-4,10,12,18-Tetramethyl-8-(2-Propenyl)-
• Molecular Formula: C₄₃H₆₇NO₁₂
• Molecular Weight: 790.00
• CAS Registry Number: 135635-47-1
• SMILES: C(C2\C=C(CC(CC(OC)C4OC(C(C(N1CCCCC1C(OC(C(C(CC2=O)O)C)C(/C)=C/C3CCC(O)C(O)C3)=O)=O)=O)(O)C(CC4OC)C)C)/C)C=C
• InChI: 1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+
• InChIKey: VHOPGJHKSPGXIZ-AMASXYNMSA-N