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Structure

Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxooctyl)oxy]-,(11b)-(9ci)

CAS
85959-58-6
Catalog Number
ACM85959586
Category
Other Products
Molecular Weight
486.64018
Molecular Formula
C29H42O6

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Specification

Synonyms
EINECS 289-053-0, CID10480577, CID 10480577, 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-octanoate, 85959-58-6
IUPAC Name
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate
Canonical SMILES
CCCCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
InChI Key
NDWSWWNCJPFKAB-KAQKJVHQSA-N
EC Number
289-053-0
Exact Mass
486.29800
H-Bond Acceptor
6
H-Bond Donor
2
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