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Quinoderm hydrocortisone
CAS Number: 78515-97-6
IUPAC name: potassium;benzoyl benzenecarboperoxoate;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;hydrogen sulfate;quinolin-8-ol
Molecular formula: C44H48KNO14S
Molecular weight: 886.0
InChI: InChI=1S/C21H30O5.C14H10O4.C9H7NO.K.H2O4S/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;11-8-5-1-3-7-4-2-6-10-9(7)8;;1-5(2,3)4/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;1-10H;1-6,11H;;(H2,1,2,3,4)/q;;;+1;/p-1/t14-,15-,16-,18+,19-,20-,21-;;;;/m0..../s1
InChIKey: CQJBBGRVVILUIE-JGKRVETLSA-M
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)[O-].[K+]
EINECS: -
