[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
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![[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4bf913966cc84537a0cc02e482903108.png "[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate")
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
structure -
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CAS No:
81047-65-6
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Formula:
C39H64O6
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Chemical Name:
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
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Synonyms:
81047-65-6;NSC14933;SCHEMBL7137200;DTXSID201001732;NSC-14933;ZINC118927025;11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate;11beta,17alpha-Dihydroxy-21-(octadecanoyloxy)pregna-4-ene-3,20-dione
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CAS No:
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate Basic Attributes
628.9 g/mol
628.47028976 g/mol
14933
Computed Properties
Molecular Weight:628.9
XLogP3:10.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:20
Exact Mass:628.47028976
Monoisotopic Mass:628.47028976
Topological Polar Surface Area:101
Heavy Atom Count:45
Complexity:1030
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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