Analyte Name

Deschloro Pimecrolimus (Mixture of Isomers)

CAS Number

148147-41-5

Molecular Formula

C43 H67 N O11

Molecular Weight

773.992

Accurate Mass

773.471

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)OC([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC=C[C@@H](C4)OC)\C

InChI

InChI=1S/C43H67NO11/c1-10-31-19-25(2)18-26(3)20-36(52-8)39-37(53-9)22-28(5)43(50,55-39)40(47)41(48)44-17-12-11-16-33(44)42(49)54-38(29(6)34(45)24-35(31)46)27(4)21-30-14-13-15-32(23-30)51-7/h13,15,19,21,26,28-34,36-39,45,50H,10-12,14,16-18,20,22-24H2,1-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33-,34-,36-,37-,38?,39+,43+/m0/s1

IUPAC

(1R,9S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,5R)-5-methoxycyclohex-3-en-1-yl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat