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Product Overview

Product Code

TRC-B691900

CAS Number

112849-17-9

Product Format

Neat

Molecular Formula

C39 H66 O3 Si2

Molecular Weight

639.11

Product Categories

TRC, Additional Covid-19 Research materials, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene

CAS Number

112849-17-9

Molecular Formula

C39 H66 O3 Si2

Molecular Weight

639.11

Accurate Mass

638.455

SMILES

C[C@H](\C=C\C(=O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C\4/C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C4=C)O[Si](C)(C)C(C)(C)C)\CCC[C@]23C

InChI

InChI=1S/C39H66O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-34,36H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20+/t27-,32-,33-,34+,36+,39-/m1/s1

IUPAC

(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

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