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Product Overview

Product Code

TRC-H949660

CAS Number

115538-85-7

Product Format

Neat

Molecular Formula

C27H42O4

Molecular Weight

430.62

Product Categories

Blood Brain Barrier, TRC

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid

CAS Number

115538-85-7

Molecular Formula

C27H42O4

Molecular Weight

430.62

Accurate Mass

430.3083

SMILES

C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1

IUPAC

(6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

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