3beta-[(Dibutylaminoacetyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 64011-27-4]

Identification

• Name: 3beta-[(Dibutylaminoacetyl)Oxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: 2-(Dibutylamino)Acetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 2-(Dibutylamino)Acetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-10-Methanoyl-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-(Dibutylamino)Ethanoate
• Molecular Formula: C₃₃H₅₁NO₇
• Molecular Weight: 573.77
• CAS Registry Number: 64011-27-4
• SMILES: [C@H]13[C@@H]([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CN(CCCC)CCCC)CC2)C=O)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C33H51NO7/c1-4-6-16-34(17-7-5-2)20-29(37)41-24-8-13-31(22-35)26-9-12-30(3)25(23-18-28(36)40-21-23)11-15-33(30,39)27(26)10-14-32(31,38)19-24/h18,22,24-27,38-39H,4-17,19-21H2,1-3H3/t24-,25+,26-,27+,30+,31-,32-,33?/m0/s1
• InChIKey: VVDUGWUSWACTBV-DQKNNFQLSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 695.594°C at 760 mmHg (Cal.)
• Flash point: 374.482°C (Cal.)