27-Dehydrowithaferin A
[CAS# 109357-42-8]

Identification

• Name: 27-Dehydrowithaferin A
• Synonyms: 27-Dwa; Ergosta-2,24-Dien-26-Oic Acid, 5,6-Epoxy-4,22-Dihydroxy-1,27-Dioxo-, Delta-Lactone, (4Beta,5Beta,6Beta,22R)-
• Molecular Formula: C₂₈H₃₆O₆
• Molecular Weight: 468.59
• CAS Registry Number: 109357-42-8
• SMILES: [C@@]123O[C@@H]1C[C@@H]4[C@@H]([C@]2(C(=O)C=C[C@@H]3O)C)CC[C@]5([C@H]4CC[C@@H]5[C@@H]([C@@H]6OC(=O)C(=C(C6)C)C=O)C)C
• InChI: 1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,13,15-16,18-21,23-24,31H,5-6,9-12H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
• InChIKey: UZJYJCDYFRLVKM-CKNDUULBSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 680.151°C at 760 mmHg (Cal.)
• Flash point: 227.325°C (Cal.)