(3a,​5b)​-​21-​(acetyloxy)​-​20-​[(aminocarbonyl)​hydrazono]​pregnan-​3-​yl-O-2,​3,​4-​triacetate b-​D-​Glucopyranosiduronic acid, methyl ester

Ref. TR-A576205

Product Information

• Name: (3a,​5b)​-​21-​(acetyloxy)​-​20-​[(aminocarbonyl)​hydrazono]​pregnan-​3-​yl-O-2,​3,​4-​triacetate b-​D-​Glucopyranosiduronic acid, methyl ester
• Synonyms: (3a,​5b)​-​21-​(acetyloxy)​-​20-​[(aminocarbonyl)​hydrazono]​pregnan-​3-​yl-O-2,​3,​4-​triacetate b-​D-​Glucopyranosiduronic acid, methyl ester

Description

Applications (2R,3R,4R,5S,6S)-2-(((3R,8R,9S,10S,13S,14S,17S)-17-((E)-2-Acetoxy-1-(2-carbamoylhydrazono)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl Triacetate is an intermediate in the synthesis of Tetrahydro 11-Deoxycorticosterone 3α-β-D-Glucuronide (T293275), which is a glucuronide metabolite of 11-Deoxycorticosterone (DOC) (D232590).
References Mattox, V.R., et al.: Steroids, 42, 349 (1983),

• Brand: TRC

Chemical properties

• Molecular weight: 749.84
• Formula: C₃₇H₅₅N₃O₁₃
• Color/Form: Colourless to Dark Yellow Oil
• InChI: InChI=1S/C37H55N3O13/c1-18(41)48-17-28(39-40-35(38)46)27-11-10-25-24-9-8-22-16-23(12-14-36(22,5)26(24)13-15-37(25,27)6)52-34-32(51-21(4)44)30(50-20(3)43)29(49-19(2)42)31(53-34)33(45)47-7/h22-27,29-32,34H,8-17H2,1-7H3,(H3,38,40,46)/b39-28-/t22?,23-,24+,25+,26+,27-,29+,30-,31+,32-,34-,36+,37+/m1/s1
• InChI key: InChIKey=RRRWGGZSRUVQDB-QFTCJNQLSA-N
• SMILES: COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](/C(COC(C)=O)=N\NC(N)=O)CC[C@@H]43)C2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O