N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-11-Yl]Phenoxy]Pentylsulfanyl]-N-Methylacetamide
[CAS# 134413-34-6]

Identification

• Name: N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-11-Yl]Phenoxy]Pentylsulfanyl]-N-Methylacetamide
• Synonyms: N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylsulfanyl]-N-Methyl-Acetamide; N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylthio]-N-Methylacetamide; N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylthio]-N-Methyl-Acetamide
• Molecular Formula: C₃₆H₅₁NO₄S
• Molecular Weight: 593.86
• CAS Registry Number: 134413-34-6
• SMILES: [C@@H]4(CCC5C2CCC1=C(C=CC(=C1)O)C2[C@@H](C3=CC=C(OCCCCCSCC(=O)N(C)CCCC)C=C3)C[C@]45C)O
• InChI: 1S/C36H51NO4S/c1-4-5-19-37(3)34(40)24-42-21-8-6-7-20-41-28-13-9-25(10-14-28)31-23-36(2)32(17-18-33(36)39)30-15-11-26-22-27(38)12-16-29(26)35(30)31/h9-10,12-14,16,22,30-33,35,38-39H,4-8,11,15,17-21,23-24H2,1-3H3/t30?,31-,32?,33+,35?,36+/m1/s1
• InChIKey: SMZZRUZIOSLOJZ-DFGZGYOGSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 735.773°C at 760 mmHg (Cal.)
• Flash point: 398.781°C (Cal.)