3-beta-Hydroxy-5-alpha-androst-5-en-17-one hydrogen sulfate compd. with papaverine
[CAS# 101831-49-6]

Identification

• Name: 3-beta-Hydroxy-5-alpha-androst-5-en-17-one hydrogen sulfate compd. with papaverine
• Synonyms: 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; [(8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 6,7-Dimethoxy-1-Veratryl-Isoquinoline; [(8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; Pmsd
• Molecular Formula: C₃₉H₄₉NO₉S
• Molecular Weight: 707.88
• CAS Registry Number: 101831-49-6
• SMILES: [C@H]12[C@H]4[C@](CC[C@@H]1[C@@]3(C(=CC2)CC(O[S](=O)(=O)O)CC3)C)(C(=O)CC4)C.C5=C6C(=CC(=C5OC)OC)C=CN=C6CC7=CC(=C(OC)C=C7)OC
• InChI: 1S/C20H21NO4.C19H28O5S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h5-8,10-12H,9H2,1-4H3;3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t;13?,14-,15-,16-,18-,19-/m.0/s1
• InChIKey: ZZOXHLNZOZHWJS-LNTAAPBVSA-N