3beta,5,14beta,21-Tetrahydroxy-24-Nor-5beta-Chol-20(22)-Ene-19,23-Dioic Acid gamma-Lactone
[CAS# 508-64-5]

Identification

• Name: 3beta,5,14beta,21-Tetrahydroxy-24-Nor-5beta-Chol-20(22)-Ene-19,23-Dioic Acid gamma-Lactone
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-Trihydroxy-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]Phenanthrene-10-Carboxylic Acid; 24-Nor-5-Beta,14-Beta-Chol-20(22)-Ene-19,23-Dioic Acid, 3-Beta,5,14,21-Tetrahydroxy-, Gamma-Lactone; Strophanthidin-19-Carboxylic Acid
• Molecular Formula: C₂₃H₃₂O₇
• Molecular Weight: 420.50
• CAS Registry Number: 508-64-5
• SMILES: [C@@H]34[C@H]([C@]1(O)[C@@]([C@H](CC1)C2=CC(OC2)=O)(CC3)C)CC[C@@]5(O)[C@]4(C(=O)O)CC[C@H](O)C5
• InChI: 1S/C23H32O7/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27)/t14-,15+,16-,17+,20+,21-,22+,23-/m0/s1
• InChIKey: XJIILRFVONGQOG-OTCDBKAHSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 670.943°C at 760 mmHg (Cal.)
• Flash point: 232.931°C (Cal.)