5,6-Epoxy-4,20,22-Trihydroxy-1-Oxoergosta-2,24-Dien-26-Oic Acid delta-Lactone
[CAS# 30655-48-2]

Identification

• Name: 5,6-Epoxy-4,20,22-Trihydroxy-1-Oxoergosta-2,24-Dien-26-Oic Acid delta-Lactone
• Synonyms: Nsc 179841; C08842; Withanolide D
• Molecular Formula: C₂₈H₃₈O₆
• Molecular Weight: 470.60
• CAS Registry Number: 30655-48-2
• SMILES: [C@]236[C@@]([C@H]1CC[C@]4([C@H]([C@@H]1C[C@H]2O3)CC[C@@H]4[C@]([C@@H]5OC(=O)C(=C(C5)C)C)(O)C)C)(C(=O)C=C[C@@H]6O)C
• InChI: 1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
• InChIKey: SASUFNRGCZMRFD-JCUIILOWSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 663.701°C at 760 mmHg (Cal.)
• Flash point: 220.275°C (Cal.)

References

• (1): Li-Xia Chen, Hao He and Feng Qiu. Natural withanolides: an overview, Nat. Prod. Rep., 2011, 28, 705.