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Product Overview

Product Code

TRC-H942803

Product Format

Neat

Molecular Formula

C27 H32 O9

Molecular Weight

500.54

API Family

Gestrinone

Product Categories

TRC, Hormones, Hormones, Impurity Reference Materials , Steroids and derivatives, Hormones, Steroids and derivatives

Product Type

Impurity

Alternate CAS Number

16320-04-0

Drug Type

Steroids / Hormones

Documentation

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Product Information

Chemical Data

Analyte Name

6alpha-Hydroxy Gestrinone Glucuronide

Molecular Formula

C27 H32 O9

Molecular Weight

500.54

Accurate Mass

500.2046

SMILES

[H][C@@]12C[C@H](O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C4=CC(CCC4=C1C=C[C@@]5(CC)[C@@]2([H])CC[C@]5(C#C)O)=O

InChI

InChI=1S/C27H32O9/c1-3-26-9-7-15-14-6-5-13(28)11-17(14)19(12-16(15)18(26)8-10-27(26,34)4-2)35-25-22(31)20(29)21(30)23(36-25)24(32)33/h2,7,9,11,16,18-23,25,29-31,34H,3,5-6,8,10,12H2,1H3,(H,32,33)/t16-,18+,19-,20+,21+,22-,23+,25?,26+,27+/m1/s1

IUPAC

(2S,3S,4S,5R)-6-[[(6R,8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Alternate CAS Number

16320-04-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Gestrinone

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