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Product Overview

Product Code

TRC-D281855

CAS Number

75868-48-3

Product Format

Neat

Molecular Formula

C21H27ClO3

Molecular Weight

362.89

Product Categories

TRC

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

21-Desacetoxy-21-Chloro Anecortave

CAS Number

75868-48-3

Molecular Formula

C21H27ClO3

Molecular Weight

362.89

Accurate Mass

362.16

SMILES

C[C@@]12[C@](CC[C@]2(O)C(CCl)=O)([H])[C@@]3([H])C([C@@]4(C(CC3)=CC(CC4)=O)C)=CC1

InChI

InChI=1S/C21H27ClO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1

IUPAC

(8S,10S,13S,14S,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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