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Product Overview

Product Code

TRC-R124250

CAS Number

500733-49-3

Product Format

Neat

Molecular Formula

C51H79NO15

Molecular Weight

946.17

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Rapamycin Dialdehyde

CAS Number

500733-49-3

Molecular Formula

C51H79NO15

Molecular Weight

946.17

Accurate Mass

945.545

SMILES

CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N2CCCCC2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)C(OC)C(=O)C(C)CC(C)C=CC=O)[C@H](C)C[C@@H]3CC[C@@H](O)C(C3)OC)\C(=C\C=O)\C

InChI

InChI=1S/C51H79NO15/c1-30(14-13-22-53)24-34(5)45(57)47(65-10)46(58)35(6)25-32(3)41(56)29-43(33(4)26-37-17-19-40(55)44(27-37)64-9)66-50(61)39-15-11-12-21-52(39)49(60)48(59)51(62)36(7)16-18-38(67-51)28-42(63-8)31(2)20-23-54/h13-14,20,22-23,25,30,32-34,36-40,42-44,46-47,55,58,62H,11-12,15-19,21,24,26-29H2,1-10H3/b14-13?,31-20+,35-25+/t30?,32-,33-,34?,36-,37+,38+,39?,40-,42+,43+,44?,46-,47?,51-/m1/s1

IUPAC

[(2R,3S,6R,7E,9R)-9-hydroxy-1-[(1S,4R)-4-hydroxy-3-methoxycyclohexyl]-10-methoxy-2,6,8,12,14-pentamethyl-5,11,17-trioxoheptadeca-7,15-dien-3-yl] 1-[2-[(2R,3R,6S)-2-hydroxy-6-[(E,2S)-2-methoxy-3-methyl-5-oxopent-3-enyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Rapamycin Dialdehyde (Technical Grade)

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