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Product Overview

Product Code

TRC-C228100

CAS Number

218600-53-4

Product Format

Neat

Molecular Formula

C32 H43 N O4

Molecular Weight

505.69

Product Categories

TRC, NF-kB and IkB, Pain and Inflammation, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

CDDO Methyl Ester

CAS Number

218600-53-4

Molecular Formula

C32 H43 N O4

Molecular Weight

505.69

Accurate Mass

505.3192

SMILES

COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2

InChI

InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1

IUPAC

methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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