(3beta,22R)-3,14,17,20-Tetrahydroxy-22,26-epoxyergosta-5,24-diene-1,26-dione
[CAS# 87168-24-9]

Identification

• Name: (3beta,22R)-3,14,17,20-Tetrahydroxy-22,26-epoxyergosta-5,24-diene-1,26-dione
• Synonyms: 3-HDH-withanolide F; 3-Hydroxy-2,3-dihydrowithanolide F; 3β-Hydroxy-2,3-dihydrowithanolide F
• Molecular Formula: C₂₈H₄₀O₇
• Molecular Weight: 488.61
• CAS Registry Number: 87168-24-9
• SMILES: O=C1C[C@H](O)C/C2=C/C[C@@H]5[C@@H]([C@@]12C)CC[C@@]4(C)[C@@]5(O)CC[C@]4(O)[C@](O)(C)[C@@H]3OC(=O)\C(=C(\C)C3)C
• InChI: 1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28-/m1/s1
• InChIKey: BQRGHHNBIPOTTJ-DVKLICRISA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 694.848°C at 760 mmHg (Cal.)
• Flash point: 228.799°C (Cal.)