(5alpha,6alpha,7alpha,22S)-5,23-Dihydroxy-6,7:22,26-Diepoxyergosta-2,24-Diene-1,26-Dione
[CAS# 58324-09-7]

Identification

• Name: (5alpha,6alpha,7alpha,22S)-5,23-Dihydroxy-6,7:22,26-Diepoxyergosta-2,24-Diene-1,26-Dione
• Synonyms: withanolide R
• Molecular Formula: C₂₈H₃₈O₆
• Molecular Weight: 470.60
• CAS Registry Number: 58324-09-7
• SMILES: O=C5/C=C\C[C@]6(O)[C@H]1O[C@H]1[C@@H]3[C@H](CC[C@]2(C)[C@H](CC[C@H]23)[C@H](C)[C@@H]4OC(=O)C(\C)=C(\C)C4O)[C@@]56C
• InChI: 1S/C28H38O6/c1-13-14(2)25(31)34-22(21(13)30)15(3)16-8-9-17-20-18(10-12-26(16,17)4)27(5)19(29)7-6-11-28(27,32)24-23(20)33-24/h6-7,15-18,20-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,20-,21?,22-,23-,24-,26+,27-,28-/m0/s1
• InChIKey: ITDTXRUOLXQNAY-IFWYMCCFSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 661.089°C at 760 mmHg (Cal.)
• Flash point: 219.283°C (Cal.)