(22R,23R,25R)-5beta,6beta-Epoxy-4beta,16beta,20,22,23-Pentahydroxy-1-Oxoergost-2-En-26-Oic Acid gamma-Lactone
[CAS# 71801-45-1]

Identification

• Name: (22R,23R,25R)-5beta,6beta-Epoxy-4beta,16beta,20,22,23-Pentahydroxy-1-Oxoergost-2-En-26-Oic Acid gamma-Lactone
• Synonyms: Nsc301722
• Molecular Formula: C₂₈H₄₀O₈
• Molecular Weight: 504.62
• CAS Registry Number: 71801-45-1
• SMILES: CC46C1(OC1CC5C3C(C(C(C(C2OC(=O)C(C2C)C)O)(O)C)C(C3)O)(C)CCC45)C(C=CC6=O)O
• InChI: 1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3
• InChIKey: PHBPDHFIJFLEGD-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 741.36°C at 760 mmHg (Cal.)
• Flash point: 246.09°C (Cal.)