Sandoricin
[CAS# 133585-55-4]

Identification

• Name: Sandoricin
• Synonyms: Nsc622491; Sandoricin
• Molecular Formula: C₃₁H₄₀O₁₁
• Molecular Weight: 588.65
• CAS Registry Number: 133585-55-4
• SMILES: [C@@H]2(OC(C)=O)C([C@H](CC(OC)=O)[C@]1(C5CC(C3(C)[C@](OC1C2)([C@H](O)C(=O)OC3C4=COC=C4)C5=C)OC(C)=O)C)(C)C
• InChI: 1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19?,20-,21-,22?,23?,25+,26?,29+,30?,31+/m0/s1
• InChIKey: FPZCLGWPFTXULY-BPCKSTTASA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 663.491°C at 760 mmHg (Cal.)
• Flash point: 355.066°C (Cal.)