(2B,3A,5A,16B,17B)-17-ACETOXY-3-HYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)ANDROSTANE

CAS No.
119302-24-8
CCD No.
CCD00817179
Formula
C29 H48 N2 O4
MolWeight
488.708

Basic Information

Product Name: (2B,3A,5A,16B,17B)-17-ACETOXY-3-HYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)ANDROSTANE
CAS: 119302-24-8
English Synonyms: 2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)-5-ANDROSTANE-3,17-DIOL,17-ACETATE ; ROCURONIUM RELATED COMPOUND A ; (2,3,5,16,17)-17-ACETOXY-3-HYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)ANDROSTANE ; 2BETA-(4-MORPHOLINYL)-16BETA-(1-PYRROLIDINYL)-5ALPHA-ANDROSTANE-3ALPHA,17BETA-DIOL 17-ACETATE ; (2B,3A,5A,16B,17B)-17-ACETOXY-3-HYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)ANDROSTANE ; (2BETA,3ALPHA,5ALPHA,16BETA,17BETA)-17-ACETOXY-3-HYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)ANDROSTANE
MDL Number.: MFCD09833552
H bond acceptor: 6
H bond donor: 1
Smile: CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)N6CCCC6
InChi: InChI=1S/C29H48N2O4/c1-19(32)35-27-24(30-10-4-5-11-30)17-23-21-7-6-20-16-26(33)25(31-12-14-34-15-13-31)18-29(20,3)22(21)8-9-28(23,27)2/h20-27,33H,4-18H2,1-3H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChiKey: InChIKey=YBZSVMDKHBRYNB-RIQJFVKASA-N

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