(3S,10S,13R,14R,17S)-17-[(2R)-6-Amino-6-Methylheptan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 104987-51-1]

Identification

• Name: (3S,10S,13R,14R,17S)-17-[(2R)-6-Amino-6-Methylheptan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,10S,13R,14R,17S)-17-[(1R)-5-Amino-1,5-Dimethyl-Hexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17S)-17-[(1R)-5-Amino-1,5-Dimethylhexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17S)-17-[(2R)-6-Amino-6-Methyl-Heptan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₃₀H₅₃NO
• Molecular Weight: 443.75
• CAS Registry Number: 104987-51-1
• SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)CC3)(CC[C@H]4[C@@H](CCCC(N)(C)C)C)C)C
• InChI: 1S/C30H53NO/c1-20(10-9-16-26(2,3)31)21-13-18-30(8)23-11-12-24-27(4,5)25(32)15-17-28(24,6)22(23)14-19-29(21,30)7/h20-21,24-25,32H,9-19,31H2,1-8H3/t20-,21+,24?,25+,28-,29-,30+/m1/s1
• InChIKey: IHJMWZWIJOZWNP-XCNLKJTESA-N

Properties

• Density: 1.003g/cm³ (Cal.)
• Boiling point: 521.889°C at 760 mmHg (Cal.)
• Flash point: 269.429°C (Cal.)