(3beta,5xi,7alpha,12beta,16beta,17xi,23S,25R)-3,7,12,23-Tetrahydroxy-26,29-Epoxy-16,23-Cyclolanost-8-Ene-11,15,26-Trione
[CAS# 138008-05-6]

Identification

• Name: (3beta,5xi,7alpha,12beta,16beta,17xi,23S,25R)-3,7,12,23-Tetrahydroxy-26,29-Epoxy-16,23-Cyclolanost-8-Ene-11,15,26-Trione
• Synonyms: 16,23-Cyclolanost-8-en-26-oic acid, 3,7,12,23-tetrahydroxy-11,15-dioxo-, γ-lactone, (3β,7β,12β,16α,23β,25R)-; Ganosporelactone B
• Molecular Formula: C₃₀H₄₂O₈
• Molecular Weight: 530.65
• CAS Registry Number: 138008-05-6
• SMILES: O=C2[C@]1(/C3=C4\C(=O)[C@@H](O)[C@]1(C)C6[C@H]2[C@@](O)(C[C@H](C(=O)OCC5(C(C[C@H]3O)[C@]4(C)CC[C@@H]5O)C)C)C[C@H]6C)C
• InChI: 1S/C30H42O8/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/h13-18,21,24,31-32,35,37H,7-12H2,1-6H3/t13-,14-,15-,16?,17+,18?,21-,24-,26+,27?,28+,29-,30+/m1/s1
• InChIKey: CQTYVKBMAWPPAO-RJLKAICRSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 740.249°C at 760 mmHg (Cal.)
• Flash point: 241.236°C (Cal.)
• Refractive index: 1.612 (Cal.)