(1alpha,3alpha,6alpha,14alpha,16beta)-20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)-Aconitane-3,8,14-Triol 8-Acetate 14-Benzoate
[CAS# 77757-14-3]

Identification

• Name: (1alpha,3alpha,6alpha,14alpha,16beta)-20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)-Aconitane-3,8,14-Triol 8-Acetate 14-Benzoate
• Synonyms: Aconitane-8,14-Diol, 20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)-, 8-Acetate 14-Benzoate, (1Alpha,6Alpha,14Alpha,16Beta)-
• Molecular Formula: C₃₄H₄₇NO₈
• Molecular Weight: 597.75
• CAS Registry Number: 77757-14-3 (4296-54-2)
• SMILES: C7=C(C(OC2C1C3C46C5C(C(C1(CC(C2C3)OC)OC(C)=O)C4N(CC)CC5(COC)CCC6OC)OC)=O)C=CC=C7
• InChI: 1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(43-19(2)36,26(30(34)35)28(41-6)29(32)34)25(22)27(21)42-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3
• InChIKey: YVVFVJVAHWNXNY-UHFFFAOYSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 631.429°C at 760 mmHg (Cal.)
• Flash point: 335.677°C (Cal.)