Withanolides
[CAS# 63139-16-2]

Identification

• Name: Withanolides
• Synonyms: 6-[1-Hydroxy-1-(5,6,14,17-Tetrahydroxy-1-Keto-10,13-Dimethyl-6,7,8,9,11,12,15,16-Octahydro-4H-Cyclopenta[A]Phenanthren-17-Yl)Ethyl]-3,4-Dimethyl-5,6-Dihydropyran-2-One; Ergosta-2,24-Dien-26-Oic Acid, 5,6,14,17,20,22-Hexahydroxy-1-Oxo-, .Delta.-Lactone, (5.Alpha.,6.Beta.,17.Alpha.,22R)-; Nsc312620
• Molecular Formula: C₂₈H₄₀O₈
• Molecular Weight: 504.62
• CAS Registry Number: 63139-16-2
• SMILES: CC24C(C1CC(O)C3(C(C1CC2)(C(C=CC3)=O)C)O)(CCC4(C(C5OC(=O)C(=C(C5)C)C)(O)C)O)O
• InChI: 1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3
• InChIKey: PQZVBIJEPVKNOZ-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 702.493°C at 760 mmHg (Cal.)
• Flash point: 230.542°C (Cal.)