Roritoxin B
[CAS# 102852-49-3]

Identification

• Name: Roritoxin B
• Synonyms: Roritoxin B; Vertisporin, 7',8'-Didehydro-2',3'-Epoxy-2',3'-Dihydro-
• Molecular Formula: C₂₉H₃₄O₁₁
• Molecular Weight: 558.58
• CAS Registry Number: 102852-49-3
• SMILES: CC27C1(OC1)C8OC3C2(CCC(=C3)C)COC(=O)C4OC46C5OC(O)C(O)C5(OCC6)\C=C/C=C\C(OC7C8)=O
• InChI: 1S/C29H34O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-22,24,31-32H,6,8-10,12-14H2,1-2H3/b5-3-,7-4-
• InChIKey: WWNGAYLSKFTSBS-XDYPTIOJSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 836.743°C at 760 mmHg (Cal.)
• Flash point: 279.831°C (Cal.)