(5xi,7alpha,12beta,16beta,17xi,23S,25R)-7,12,23-Trihydroxy-26,29-Epoxy-16,23-Cyclolanost-8-Ene-3,11,15,26-Tetrone
[CAS# 138008-04-5]

Identification

• Name: (5xi,7alpha,12beta,16beta,17xi,23S,25R)-7,12,23-Trihydroxy-26,29-Epoxy-16,23-Cyclolanost-8-Ene-3,11,15,26-Tetrone
• Synonyms: 16,23-Cyclolanost-8-en-26-oic acid, 7,12,23-trihydroxy-3,11,15-trioxo-, γ-lactone, (7β,12β,16α,23β,25R)-; Ganosporelactone A
• Molecular Formula: C₃₀H₄₀O₈
• Molecular Weight: 528.63
• CAS Registry Number: 138008-04-5
• SMILES: O=C2[C@]1(/C4=C3\C(=O)[C@@H](O)[C@]1(C)C6[C@H]2[C@@](O)(C[C@H](C(=O)OCC5(C(=O)CC[C@]3(C5C[C@H]4O)C)C)C)C[C@H]6C)C
• InChI: 1S/C30H40O8/c1-13-10-30(37)11-14(2)25(36)38-12-27(4)16-9-15(31)19-20(26(16,3)8-7-17(27)32)22(33)24(35)28(5)18(13)21(30)23(34)29(19,28)6/h13-16,18,21,24,31,35,37H,7-12H2,1-6H3/t13-,14-,15-,16?,18?,21-,24-,26+,27?,28+,29-,30+/m1/s1
• InChIKey: TYPFFJGVXIHSGW-GVXYNVFWSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 744.11°C at 760 mmHg (Cal.)
• Flash point: 243.434°C (Cal.)
• Refractive index: 1.606 (Cal.)