Asperlicin B
[CAS# 93413-08-2]

Identification

• Name: Asperlicin B
• Synonyms: Quinazolino(3,2-A)(1,4)Benzodiazepine-5,13-Dione, 6,7-Dihydro-7-((2,3,9,9A-Tetrahydro-1,9-Dihydroxy-2-(2-Methylpropyl)-3-Oxo-1H-Imidazo(1,2-A)Indol-9-Yl)Methyl)-, (2S-(2Alpha,9Beta,9(R*),9Abeta))-
• Molecular Formula: C₃₁H₂₉N₅O₅
• Molecular Weight: 551.60
• CAS Registry Number: 93413-08-2
• SMILES: [C@H]17N(C6=C([C@@]1(O)C[C@@H]2NC(=O)C5=C(N4C2=NC3=CC=CC=C3C4=O)C=CC=C5)C=CC=C6)C(=O)[C@@H](N7O)CC(C)C
• InChI: 1S/C31H29N5O5/c1-17(2)15-25-29(39)35-24-14-8-5-11-20(24)31(40,30(35)36(25)41)16-22-26-32-21-12-6-3-9-18(21)28(38)34(26)23-13-7-4-10-19(23)27(37)33-22/h3-14,17,22,25,30,40-41H,15-16H2,1-2H3,(H,33,37)/t22-,25-,30+,31-/m0/s1
• InChIKey: SVMKNJGSJSFLSU-IWENFQHWSA-N

Properties

• Density: 1.52g/cm³ (Cal.)