(22S)-17,23,27-Trihydroxy-22,26-Epoxyergosta-2,5,24-Triene-1,26-Dione
[CAS# 58324-08-6]

Identification

• Name: (22S)-17,23,27-Trihydroxy-22,26-Epoxyergosta-2,5,24-Triene-1,26-Dione
• Synonyms: withanolide Q
• Molecular Formula: C₂₈H₃₈O₆
• Molecular Weight: 470.60
• CAS Registry Number: 58324-08-6
• SMILES: O=C4/C=C\C\C5=C\C[C@@H]2[C@H](CC[C@]1(C)[C@](O)(CC[C@H]12)[C@H](C)[C@@H]3OC(=O)C(\CO)=C(\C)C3O)[C@@]45C
• InChI: 1S/C28H38O6/c1-15-19(14-29)25(32)34-24(23(15)31)16(2)28(33)13-11-20-18-9-8-17-6-5-7-22(30)27(17,4)21(18)10-12-26(20,28)3/h5,7-8,16,18,20-21,23-24,29,31,33H,6,9-14H2,1-4H3/t16-,18+,20+,21+,23?,24+,26+,27+,28+/m1/s1
• InChIKey: RCYHJRHAKWAKRC-BOERBOERSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 692.467°C at 760 mmHg (Cal.)
• Flash point: 229.846°C (Cal.)