(2xi,19E)-Ajmal-19-en-17-yl 3,4,5-trimethoxybenzoate
[CAS# 466-57-9]

Identification

• Name: (2xi,19E)-Ajmal-19-en-17-yl 3,4,5-trimethoxybenzoate
• Synonyms: Ajmalan-17-ol, 19,20-didehydro-, 3,4,5-trimethoxybenzoate (ester), (17R,19E)-; Rauvomitin
• Molecular Formula: C₃₀H₃₄N₂O₅
• Molecular Weight: 502.60
• CAS Registry Number: 466-57-9
• SMILES: O=C(OC2[C@H]5[C@@H]6\C(=C/C)CN4[C@H](C3N(c1c(cccc1)[C@@]23C[C@H]45)C)C6)c7cc(OC)c(OC)c(OC)c7
• InChI: 1S/C30H34N2O5/c1-6-16-15-32-21-13-18(16)25-22(32)14-30(19-9-7-8-10-20(19)31(2)27(21)30)28(25)37-29(33)17-11-23(34-3)26(36-5)24(12-17)35-4/h6-12,18,21-22,25,27-28H,13-15H2,1-5H3/b16-6-/t18-,21-,22-,25+,27?,28?,30+/m0/s1
• InChIKey: JHWXXJLDNKFDNH-HZBSNRRDSA-N

Properties

• Density: 1.33g/cm³ (Cal.)