Analyte Name

Des[9-((3R,4R)-3-Methoxy-4-Hydroxy-cyclohexyl)-(1R,4R,8R)-2,4,8-Trimethyl-1-Hydroxy-5-Oxo-nona-2,6-dien-1-yl] seco Rapamycin

CAS Number

147438-30-0

Molecular Formula

C32H49NO9

Molecular Weight

591.73

Accurate Mass

494.34

SMILES

O=C([C@](O[C@@H]1C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(COC)=O)([C@@H](CC1)C)O)C(N(CCCC2)[C@@H]2C(O)=O)=O

InChI

InChI=1S/C32H49NO9/c1-21(18-23(3)27(34)20-40-5)12-8-7-9-13-22(2)28(41-6)19-25-16-15-24(4)32(39,42-25)29(35)30(36)33-17-11-10-14-26(33)31(37)38/h7-9,12-13,21,23-26,28,39H,10-11,14-20H2,1-6H3,(H,37,38)/b9-7+,12-8+,22-13+/t21-,23-,24-,25+,26+,28+,32-/m1/s1

IUPAC

(S)-1-(2-((2R,3R,6S)-6-((2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trien-1-yl)-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl)-2-oxoacetyl)piperidine-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat