Protoveratrines
[CAS# 8053-18-7]

Identification

• Name: Protoveratrines
• Synonyms: Puroverine; Cevane-3,4,6,7,14,15,16,20-Octol, 4,9-Epoxy-, 6,7-Diacetate 3-(2,3-Dihydroxy-2-Methylbutanoate) 15-(2-Methylbutanoate), [3.Beta.(2R,3R),4.Alpha.,6.Alpha.,7.Alpha.,15.Alpha.(R),16.Beta.]-, Mixt. With[3.Beta.(S),4.Alpha.,6.Alpha.,7.Alpha.,15.Alpha.(R),16.Beta.]-4,9-Epoxycevane-3,4,6,7,14,15,16,20-Octol 6,7-Diacetate 3-(2-Hydroxy-2-Methylbutanoate) 15-(2-Methylbutanoate); Nsc16650
• Molecular Formula: C₈₂H₁₂₆N₂O₂₉
• Molecular Weight: 1603.89
• CAS Registry Number: 8053-18-7
• SMILES: C235C1(C)C(C(O)(C(OC(C(CC)(C)O)=O)CC1)O2)C(OC(C)=O)C(C3C4(O)C(OC(C(CC)C)=O)C(O)C7C(C4C5)CN6CC(C)CCC6C7(C)O)OC(C)=O.C(C(C(OC%14C%11(C%10C9(C8(C)C(C(O)(C(OC(C(C(C)O)(C)O)=O)CC8)O9)C(OC(C)=O)C%10OC(C)=O)CC%11C%13C(C(C)(O)C%12CCC(CN%12C%13)C)C%14O)O)=O)C)C
• InChI: 1S/C41H63NO15.C41H63NO14/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43;1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3;19-20,23-33,45,48-51H,10-18H2,1-9H3
• InChIKey: SFCJOAFKJHVNCF-UHFFFAOYSA-N

Properties

• Boiling point: 847.9°C at 760 mmHg (Cal.)
• Flash point: 466.6°C (Cal.)