6-Dehydrocortisol structure

6-Dehydrocortisol

(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Also Known As: 6-Dehydrocortisol|Delta6-Hydrocortisone|Hydrocortisone EP Impurity E|Hydrocortisone impurity E [EP]|KST-1A7289|11beta,17,21-Trihydroxypregna-4,6-diene-3,20-dione|11,17,21-trihydroxypregna-4,6-diene-3,20-dione|HYDROCORTISONE IMPURITY E [EP IMPURITY]|Pregna-4,6-diene-3,20-dione, 11beta,17,21-trihydroxy-|(11|A)-11,17,21-trihydroxypregna-4,6-diene-3,20-dione|(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one|11B,17ALPHA,20ALPHA,21-Tetrahydroxy-4-pregnen-3-one|Pregna-4,6-diene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-|11.BETA.,17,21-TRIHYDROXYPREGNA-4,6-DIENE-3,20-DIONE|11?,17,21-Trihydroxypregna-4,6-diene-3,20-dione (?6-Hydrocortisone)|11beta,17,21-Trihydroxypregna-4,6-diene-3,20-dione (?6-Hydrocortisone)|PREGNA-4,6-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-|PREGNA-4,6-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (11.BETA.)-|(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one|1-[[4-[2-[(3,5-Di-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl]-3-cyclohexylurea; Glibenclamide Imp. E (Pharmeuropa); Hydrocortisone Imp. E (EP); 11beta,17,21-Trihydroxypregna-4,6-diene-3,20-dione; Delta6-Hydrocortisone; Pregna-4,6-diene-3,20-dione, 11,17,21-trihydroxy-, (11beta)- (9CI); Pregna-4,6-diene-3,20-dione, 11beta,17,21-trihydroxy- (8CI); 6-Dehydrocortisol; NSC 12881; Delta6-Cortisol; Hydrocortisone Impurity E

CAS: 6635-33-2
Molecular Formula C21H28O5
Molecular Weight 360.19366 g/mol
LogP 1.4
Topological Polar Surface Area 94.8 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 360.19366
Monoisotopic Mass 360.19366
Heavy Atoms 26
Complexity 724.0

Chemical Identifiers

CAS Number 6635-33-2
SMILES C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChIKey IFOXVSBZLASBJM-VWUMJDOOSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (3 patents)

Product Overview

6-Dehydrocortisol (CAS 6635-33-2), with molecular formula C21H28O5 and molecular weight 360.19366 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.

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