Carzinophilin A
[CAS# 1403-28-7]

Identification

• Name: Carzinophilin A
• Synonyms: [(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene]-2-[[(1E)-1-(Hydroxymethylene)-2-Oxo-Propyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(2S)-2-Methyloxiran-2-Yl]-2-Oxo-Ethyl] 3-Methoxy-5-Methyl-Naphthalene-1-Carboxylate; 3-Methoxy-5-Methyl-1-Naphthalenecarboxylic Acid [(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene]-2-[[(1E)-1-(Hydroxymethylene)-2-Oxopropyl]Amino]-2-Oxoethyl]Amino]-1-[(2S)-2-Methyl-2-Oxiranyl]-2-Oxoethyl] Ester; 3-Methoxy-5-Methyl-Naphthalene-1-Carboxylic Acid [(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene]-2-[[(E)-1-Acetyl-2-Hydroxy-Vinyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-[(2S)-2-Methyloxiran-2-Yl]Ethyl] Ester
• Molecular Formula: C₃₁H₃₃N₃O₁₁
• Molecular Weight: 623.62
• CAS Registry Number: 1403-28-7
• SMILES: [C@@H]15N(C(/[C@@H](OC(=O)C)[C@@H]1O)=C(NC(=O)[C@@H](OC(=O)C2=C3C(=CC(=C2)OC)C(=CC=C3)C)[C@]4(OC4)C)\C(=O)NC(/C(=O)C)=C/O)C5
• InChI: 1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12+,24-23+/t22-,25+,26+,27+,31-,34?/m0/s1
• InChIKey: QIKVYJOCQXXRSJ-TWEUQPGKSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 912.342°C at 760 mmHg (Cal.)
• Flash point: 505.566°C (Cal.)