Analyte Name

O-TMS Iso-pimecrolimus

Molecular Formula

C46 H76 Cl N O11 Si

Molecular Weight

882.634

Accurate Mass

881.488

SMILES

CC[C@@H]1\C=C(/C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC1=O)[C@H](C)[C@@H](O[Si](C)(C)C)\C(=C\[C@H]4CC[C@@H](Cl)[C@H](C4)OC)\C

InChI

InChI=1S/C46H76ClNO11Si/c1-13-33-21-27(2)20-28(3)22-39(55-8)42-40(56-9)24-30(5)46(53,58-42)43(50)44(51)48-19-15-14-16-35(48)45(52)57-37(26-36(33)49)31(6)41(59-60(10,11)12)29(4)23-32-17-18-34(47)38(25-32)54-7/h21,23,28,30-35,37-42,53H,13-20,22,24-26H2,1-12H3/b27-21+,29-23+/t28-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41-,42+,46+/m0/s1

IUPAC

(1R,9S,12S,15R,16E,19S,21S,22R,23S,25R)-12-[(E,2S,3R)-5-[(1S,3S,4R)-4-chloro-3-methoxycyclohexyl]-4-methyl-3-trimethylsilyloxypent-4-en-2-yl]-15-ethyl-1-hydroxy-21,23-dimethoxy-17,19,25-trimethyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat