Gagaminine
[CAS# 41060-37-1]

Identification

• Name: Gagaminine
• Synonyms: 3-Pyridinecarboxylic Acid [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-Tetrahydroxy-10,13-Dimethyl-12-[(E)-1-Oxo-3-Phenylprop-2-Enoxy]-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; Nicotinic Acid [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-Tetrahydroxy-10,13-Dimethyl-12-[(E)-3-Phenylacryloyl]Oxy-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; Pregn-5-Ene-3,8,12,14,17,20-Hexol, 12-((2E)-3-Phenyl-2-Propenoate) 20-(3-Pyridinecarboxylate), (3Beta,12Beta,14Beta,17Alpha,20S)-
• Molecular Formula: C₃₆H₄₃NO₈
• Molecular Weight: 617.74
• CAS Registry Number: 41060-37-1
• SMILES: [C@@H]6(CC[C@]3(C(=CCC4([C@]2(CC[C@]([C@H](C)OC(C1=CC=CN=C1)=O)([C@@]2(C)[C@@H](C[C@H]34)OC(\C=C\C5=CC=CC=C5)=O)O)O)O)C6)C)O
• InChI: 1S/C36H43NO8/c1-23(44-31(40)25-10-7-19-37-22-25)34(41)17-18-36(43)33(34,3)29(45-30(39)12-11-24-8-5-4-6-9-24)21-28-32(2)15-14-27(38)20-26(32)13-16-35(28,36)42/h4-13,19,22-23,27-29,38,41-43H,14-18,20-21H2,1-3H3/b12-11+/t23-,27-,28+,29+,32-,33+,34-,35?,36+/m0/s1
• InChIKey: CQLUYSHACKIUHL-LQAUVMAVSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 749.15°C at 760 mmHg (Cal.)
• Flash point: 406.871°C (Cal.)