(17alpha)-21,23-Epoxy-4beta,5alpha,5',6beta-Tetrahydro-1alpha,3alpha,7alpha-Trihydroxy-4beta,8-Dimethyl-24-Norchol-5-Eno[6,5,4-bc]Furan-14,20,22-Trien-12-One
[CAS# 29803-86-9]

Identification

• Name: (17alpha)-21,23-Epoxy-4beta,5alpha,5',6beta-Tetrahydro-1alpha,3alpha,7alpha-Trihydroxy-4beta,8-Dimethyl-24-Norchol-5-Eno[6,5,4-bc]Furan-14,20,22-Trien-12-One
• Synonyms: (1Alpha,3Alpha,4Beta,5Alpha,6Beta,7Alpha,17Alpha)-21,23-Epoxy-4,5,5',6-Tetrahydro-1,3,7-Trihydroxy-4,8-Dimethyl-24-Norchola-5,14,20,22-Tetraeno(6,5,4-Bc)Furan-12-One; 21,23-Epoxy-4,5,5',6-Tetrahydro-1,3,7-Trihydroxy-4,8-Dimethyl-24-Norchola-5,14,20,22-Tetraeno(6,5,4-Bc)Furan-12-One (1Alpha,3Alpha,4Beta,5Alpha,6Beta,7Alpha,17Alpha)-
• Molecular Formula: C₂₆H₃₄O₆
• Molecular Weight: 442.55
• CAS Registry Number: 29803-86-9
• SMILES: C6=C(C1C5(C(=CC1)C4(C(C2(C3C(C(O)CC2O)(COC3C4O)C)C)CC5=O)C)C)C=CO6
• InChI: 1S/C26H34O6/c1-23-12-32-20-21(23)26(4,19(29)10-17(23)27)16-9-18(28)24(2)14(13-7-8-31-11-13)5-6-15(24)25(16,3)22(20)30/h6-8,11,14,16-17,19-22,27,29-30H,5,9-10,12H2,1-4H3
• InChIKey: MWPUYUVXTZFYJY-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 601.471°C at 760 mmHg (Cal.)
• Flash point: 317.558°C (Cal.)