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Product Overview

Product Code

TRC-N675205

CAS Number

64044-10-6

Product Format

Neat

Molecular Formula

C18H28O2

Molecular Weight

276.41

Product Categories

TRC

Product Type

Bioactive small molecule, Metabolite

Alternate CAS Number

(α)-isomer: 33036-33-8

Documentation

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Product Information

Chemical Data

Analyte Name

19-Noretiocholan-3beta-ol-17-one

CAS Number

64044-10-6

Molecular Formula

C18H28O2

Molecular Weight

276.41

Accurate Mass

276.2089

SMILES

O[C@H]1CC[C@@]2([H])[C@@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)([H])C1

InChI

InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13+,14-,15-,16+,18+/m1/s1

IUPAC

(3S,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one

Alternate CAS Number

(α)-isomer: 33036-33-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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