Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[6-(methylthio)-9H-purin-9-yl]-,(11b)-

CAS

21170-29-6

Catalog Number

ACM21170296

Category

Other Products

Molecular Weight

510.6483

Molecular Formula

C₂₇H₃₄N₄O₄S

MSDS COA Spec Sheet

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Specification

Synonyms

CTK4E6007, 21170-29-6, AG-K-43873, Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[6-(methylthio)-9H-purin-9-yl]-, (11b)-, Pregn-4-ene-3,20-dione,11b,17-dihydroxy-21-[6-(methylthio)-9H-purin-9-yl]-(8CI); NSC 110393

IUPAC Name

(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CN5C=NC6=C5N=CN=C6SC)O)C)O

InChI Key

OEKQHFGELGITAE-RZQSHKCESA-N

Boiling Point

736ºC at 760mmHg

Flash Point

398.9ºC

Density

1.51g/cm³

Exact Mass

510.23000