4-[[(13S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Amino]Butanoic Acid
[CAS# 137525-09-8]

Identification

• Name: 4-[[(13S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Amino]Butanoic Acid
• Synonyms: 4-[[(13S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Amino]Butyric Acid; N-((3-Hydroxy-1,3,5(10)-Estratrien-17Beta-Yl))-3-Carboxypropylamine; Proacame
• Molecular Formula: C₂₂H₃₁NO₃
• Molecular Weight: 357.49
• CAS Registry Number: 137525-09-8
• SMILES: [C@H]3(NCCCC(=O)O)CCC4C2CCC1=C(C=CC(=C1)O)C2CC[C@]34C
• InChI: 1S/C22H31NO3/c1-22-11-10-17-16-7-5-15(24)13-14(16)4-6-18(17)19(22)8-9-20(22)23-12-2-3-21(25)26/h5,7,13,17-20,23-24H,2-4,6,8-12H2,1H3,(H,25,26)/t17?,18?,19?,20-,22-/m0/s1
• InChIKey: XVHWIBHQOHTZNS-LPUGWFBSSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 567.489°C at 760 mmHg (Cal.)
• Flash point: 297.007°C (Cal.)