Name: Sirolimus
Brand: LGC
SKU: ERM-AC021

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Product Overview

Product Code

ERM-AC021

CAS Number

53123-88-9

Product Format

Neat

Molecular Formula

C51 H79 N O13

Molecular Weight

914.17

Product Categories

National Measurement Laboratory (NML) at LGC, Immunosuppressants, Immunosuppressants

Documentation

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Product Information

Analyte Data

Analyte Name

Sirolimus (Rapamycin)

CAS Number

53123-88-9

Molecular Formula

C51 H79 N O13

Molecular Weight

914.17

Measured Value

98.89 %

Accurate Mass

913.5551

SMILES

CO[C@@H]1C[C@H](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]1O

InChI

InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32?,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED KINGDOM

Tariff Code

29349990

Product Format

Neat

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