(22R)-14,20,22-Trihydroxy-1-Oxoergosta-3,5,24-Triene-18,26-Dioic Acid 18,20:26,22-Dilactone
[CAS# 91599-21-2]

Identification

• Name: (22R)-14,20,22-Trihydroxy-1-Oxoergosta-3,5,24-Triene-18,26-Dioic Acid 18,20:26,22-Dilactone
• Molecular Formula: C₂₈H₃₄O₆
• Molecular Weight: 466.57
• CAS Registry Number: 91599-21-2
• SMILES: [C@]34(O)C1([C@@H]([C@@](OC1=O)([C@@H]2OC(=O)C(=C(C2)C)C)C)CC3)CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)CC=C6)C
• InChI: 1S/C28H34O6/c1-15-14-22(33-23(30)16(15)2)26(4)20-11-13-28(32)19-9-8-17-6-5-7-21(29)25(17,3)18(19)10-12-27(20,28)24(31)34-26/h5-6,8,18-20,22,32H,7,9-14H2,1-4H3/t18-,19+,20+,22+,25-,26+,27?,28+/m0/s1
• InChIKey: LNINXSFPCHLADE-OZKLRMFXSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 706.265°C at 760 mmHg (Cal.)
• Flash point: 237.921°C (Cal.)