7-[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-oxoethoxy]-7-oxoheptanoic acid
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![7-[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-oxoethoxy]-7-oxoheptanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7bd953a90cbf462ca9b76fb863eb7dc2.png "7-[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-oxoethoxy]-7-oxoheptanoic acid")
7-[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-oxoethoxy]-7-oxoheptanoic acid
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CAS No:
107085-84-7
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Formula:
C28H40O8
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Chemical Name:
7-[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-oxoethoxy]-7-oxoheptanoic acid
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Synonyms:
hydrocortisone 21-hemipimelate;107085-84-7;Hydrocortisone hemipimelate;Hydrocortison 21-hemipimelate;DTXSID00872906
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CAS No:
7-[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-oxoethoxy]-7-oxoheptanoic acid Basic Attributes
504.6 g/mol
504.27231823 g/mol
DTXSID00872906
Computed Properties
Molecular Weight:504.6
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:504.27231823
Monoisotopic Mass:504.27231823
Topological Polar Surface Area:138
Heavy Atom Count:36
Complexity:955
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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