Corotoxigenin
[CAS# 468-20-2]

Identification

• Name: Corotoxigenin
• Synonyms: (3S,5S,10R,13R,14S,17R)-3,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10R,13R,14S,17R)-3,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 5-Alpha-Card-20(22)-Enolide, 3-Beta,14-Dihydroxy-19-Oxo-
• Molecular Formula: C₂₃H₃₂O₅
• Molecular Weight: 388.50
• CAS Registry Number: 468-20-2
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@@H](CC1)C[C@@H](O)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,13,15-19,25,27H,2-9,11-12H2,1H3/t15-,16-,17+,18?,19?,21+,22+,23-/m0/s1
• InChIKey: JNTNUSUPTSNMNJ-FORWYNSGSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 586.07°C at 760 mmHg (Cal.)
• Flash point: 202.561°C (Cal.)