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Product Overview

Product Code

TRC-F699010

Product Format

Neat

Molecular Formula

C52 H79 N O14

Molecular Weight

942.182

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

33-O-Formyl Rapamycin

Molecular Formula

C52 H79 N O14

Molecular Weight

942.182

Accurate Mass

941.55

SMILES

CO[C@@H]1CC(C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC=O

InChI

InChI=1S/C52H79NO14/c1-31-16-12-11-13-17-32(2)43(62-8)28-39-21-19-37(7)52(61,67-39)49(58)50(59)53-23-15-14-18-40(53)51(60)66-44(34(4)26-38-20-22-42(65-30-54)45(27-38)63-9)29-41(55)33(3)25-36(6)47(57)48(64-10)46(56)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-40,42-45,47-48,57,61H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33?,34-,35-,37-,38?,39+,40+,42-,43+,44+,45-,47-,48+,52-/m1/s1

IUPAC

[(1R,2R)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] formate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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33-O-Formyl Rapamycin (>85%)

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