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1-[2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]pyrimidine-2,4-dione

HCID 323090
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Basic information

CAS
69636-75-5
Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)Cn1ccc(=O)[nH]c1=O
InChIKey
PXRAICJNOPEKFS-UHFFFAOYSA-N
Molecular formula
C25H30N2O6
Average molar mass
454.5 g/mol
Monoisotopic mass
454.21038668

Names & identifiers

Preferred name
1-[2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]pyrimidine-2,4-dione
IUPAC
1-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]pyrimidine-2,4-dione

Names & synonyms

NSC28183869636-75-5DTXSID60314291NSC-28183821-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-17-hydroxypregn-4-ene-3,11,20-trione

Database identifiers

CAS
69636-75-5
PubChem CID
323090
DTXSID
DTXSID60314291

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Formal charge
0
Complexity
1,050

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