Analyte Name

23-Hydroxy-33-O-tert-butyldimethylsilyloxy-27-O-trimethylsilyl-iso-FK-506

Molecular Formula

C53 H91 N O12 Si2

Molecular Weight

990.46

Accurate Mass

989.608

SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O[Si](C)(C)C(C)(C)C)\C=C(/C)\[C@@H](O[Si](C)(C)C)[C@H](C)[C@@H]2CC(=O)[C@H](CC=C)\C=C(/C)\C[C@H](C)C[C@H](OC)C3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2

InChI

InChI=1S/C53H91NO12Si2/c1-18-21-39-27-33(2)26-34(3)28-45(61-11)48-46(62-12)30-36(5)53(59,64-48)49(56)50(57)54-25-20-19-22-40(54)51(58)63-43(32-41(39)55)37(6)47(66-67(13,14)15)35(4)29-38-23-24-42(44(31-38)60-10)65-68(16,17)52(7,8)9/h18,27,29,34,36-40,42-48,59H,1,19-26,28,30-32H2,2-17H3/b33-27+,35-29+/t34-,36+,37+,38-,39+,40-,42+,43-,44+,45-,46-,47+,48?,53+/m0/s1

IUPAC

(1R,9S,12S,15R,16E,19S,21S,23S,25R)-12-[(E,2R,3S)-5-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]-4-methyl-3-trimethylsilyloxypent-4-en-2-yl]-1-hydroxy-21,23-dimethoxy-17,19,25-trimethyl-15-prop-2-enyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone

Alternate CAS Number

Alternate: 134556-85-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat