1'-O-Acetylpaxilline
[CAS# 121998-08-1]

Identification

• Name: 1'-O-Acetylpaxilline
• Synonyms: 2H-1-Benzopyrano(5',6':6,7)Indeno(1,2-B)Indol-3(4Bh)-One, 2-(1-(Acetyloxy)-1-Methylethyl)-5,6,6A,7,12,12B,12C,13,14,14A-Decahydro-4B-Hydroxy-12B,12C-Dimethyl-, (2R-(2Alpha,4Bbeta,6Aalpha,12Bbeta,12Calpha,14Abeta))-
• Molecular Formula: C₂₉H₃₅NO₅
• Molecular Weight: 477.60
• CAS Registry Number: 121998-08-1
• SMILES: [C@]24([C@]1(C5=C(C[C@@H]1CC[C@]2(C3=CC(=O)[C@H](O[C@H]3CC4)C(OC(=O)C)(C)C)O)C6=C([NH]5)C=CC=C6)C)C
• InChI: 1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1
• InChIKey: OHPVFSRTGKOAHP-FPCGACKZSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 653.763°C at 760 mmHg (Cal.)
• Flash point: 349.183°C (Cal.)