(15alpha,22R)-17,20-Dihydroxy-14,15:22,26-Diepoxyergosta-2,5,24-Triene-1,26-Dione
[CAS# 50657-14-2]

Identification

• Name: (15alpha,22R)-17,20-Dihydroxy-14,15:22,26-Diepoxyergosta-2,5,24-Triene-1,26-Dione
• Synonyms: withanolide M
• Molecular Formula: C₂₈H₃₆O₆
• Molecular Weight: 468.58
• CAS Registry Number: 50657-14-2
• SMILES: CC=1C[C@@H](OC(=O)C=1C)[C@@](O)(C)[C@@]5(O)C[C@@H]2O[C@@]24[C@@H]6C\C=C3\C\C=C/C(=O)[C@]3(C)[C@H]6CC[C@@]45C
• InChI: 1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)27(32)14-22-28(34-22)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,31-32H,7,10-14H2,1-5H3/t18-,19+,21+,22-,24+,25-,26-,27+,28-/m0/s1
• InChIKey: QVPVAUAXVYYQTQ-XDLKSZKHSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 676.777°C at 760 mmHg (Cal.)
• Flash point: 226.054°C (Cal.)