(9beta,13alpha)-17beta-Dimethylamino-3,19:7beta,8-Diepoxy-3beta,6beta-Dihydroxy-4-Methyl-15-Oxa-5alpha-Androstane-4beta-Carboxylic Acid 4,6-Lactone
[CAS# 64999-57-1]

Identification

• Name: (9beta,13alpha)-17beta-Dimethylamino-3,19:7beta,8-Diepoxy-3beta,6beta-Dihydroxy-4-Methyl-15-Oxa-5alpha-Androstane-4beta-Carboxylic Acid 4,6-Lactone
• Synonyms: Icacine
• Molecular Formula: C₂₂H₃₁NO₆
• Molecular Weight: 405.49
• CAS Registry Number: 64999-57-1
• SMILES: [C@@]237[C@H]([C@@H]6[C@H]1[C@@]([C@]5(O)CC[C@@]1([C@@H]2CC[C@@]4([C@H]3OC[C@@H]4N(C)C)C)CO5)(C)C(O6)=O)O7
• InChI: 1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18-,19-,20-,21-,22+/m0/s1
• InChIKey: VSTATNJCZCHFTM-QVPHZILJSA-N