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Product Overview

Product Code

TRC-E945420

CAS Number

1708118-13-1

Product Format

Neat

Molecular Formula

C53H83NO14

Molecular Weight

958.22

API Family

Everolimus

Product Categories

Impurity Reference Materials , TRC, Enzyme inhibitors, Immunosuppressants, Immunosuppressants, Cytokine and Growth Factor Signalling Modulators, Immunosuppressants

Product Type

Impurity

Drug Type

Immunosuppressants

Documentation

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Product Information

Chemical Data

Analyte Name

Everolimus Retroaldol Degradation Product

CAS Number

1708118-13-1

Molecular Formula

C53H83NO14

Molecular Weight

958.22

Accurate Mass

957.5814

SMILES

C[C@H](C[C@@]1([H])C[C@@H](OC)[C@H](OCCO)CC1)[C@]([H])(CC([C@H](C)/C=C(C=O)\C)=O)OC([C@H]2N(C(C([C@@]3(O)[C@H](C)CC[C@@]([H])(C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(COC)=O)O3)=O)=O)CCCC2)=O

InChI

InChI=1S/C53H83NO14/c1-34(26-38(5)45(58)33-63-8)16-12-11-13-17-36(3)47(64-9)30-42-21-19-40(7)53(62,68-42)50(59)51(60)54-23-15-14-18-43(54)52(61)67-48(31-44(57)37(4)27-35(2)32-56)39(6)28-41-20-22-46(66-25-24-55)49(29-41)65-10/h11-13,16-17,27,32,34,37-43,46-49,55,62H,14-15,18-26,28-31,33H2,1-10H3/b13-11+,16-12+,35-27+,36-17+/t34-,37-,38-,39-,40-,41+,42+,43+,46-,47+,48+,49-,53-/m1/s1

IUPAC

[(E,2R,3S,6R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl] (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Everolimus

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Everolimus Retroaldol Degradation Product

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