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Product Overview

Product Code

TRC-H433580

CAS Number

5914-96-5

Product Format

Neat

Molecular Formula

C21 H27 Na2 O8 P

Molecular Weight

484.388

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

7-Hydroxy-21-(phosphonooxy)pregn-4-ene-3,11,20-trione Sodium Salt

CAS Number

5914-96-5

Molecular Formula

C21 H27 Na2 O8 P

Molecular Weight

484.388

Accurate Mass

484.124

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O[Na])O[Na])[C@@]4(C)CC(=O)[C@H]23

InChI

InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,18+,19-,20-,21-;;/m0../s1

IUPAC

[[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-sodiooxyphosphoryl]oxysodium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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7-Hydroxy-21-(phosphonooxy)pregn-4-ene-3,11,20-trione Sodium Salt

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