(3alpha,16alpha)-Eburnamenine-14-carboxylic acid, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
[CAS# 82958-11-0]

Identification

• Name: (3alpha,16alpha)-Eburnamenine-14-carboxylic acid, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
• Synonyms: Eburnamenine-14-Carboxylic Acid, 1,3-Dihydro-3-Oxo-1-Isobenzofuranyl Ester, (3-Alpha,16-Alpha)-; Eburnamenine-14-Carboxylic Acid, 1,3-Dihydro-3-Oxo-1-Isobenzofuranyl Ester, (3Alpha,16Alpha)-; Af 698
• Molecular Formula: C₂₈H₂₆N₂O₄
• Molecular Weight: 454.52
• CAS Registry Number: 82958-11-0
• SMILES: [C@@H]12N3CCC6=C1[N](C(=C[C@@]2(CCC3)CC)C(OC4OC(=O)C5=C4C=CC=C5)=O)C7=CC=CC=C67
• InChI: 1S/C28H26N2O4/c1-2-28-13-7-14-29-15-12-18-17-8-5-6-11-21(17)30(23(18)24(28)29)22(16-28)26(32)34-27-20-10-4-3-9-19(20)25(31)33-27/h3-6,8-11,16,24,27H,2,7,12-15H2,1H3/t24-,27?,28+/m1/s1
• InChIKey: PEZLCFUBKMKIJA-NMZBPYGDSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 571.081°C at 760 mmHg (Cal.)
• Flash point: 299.179°C (Cal.)