Yamataimine
[CAS# 67113-69-3]

Identification

• Name: Yamataimine
• Molecular Formula: C₁₈H₂₇NO₅
• Molecular Weight: 337.42
• CAS Registry Number: 67113-69-3
• SMILES: [C@H]12N3CC[C@H]1OC(=O)[C@H](C[C@H]([C@](O)(C(OCC2=CC3)=O)C)C)CC
• InChI: 1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h5,11-12,14-15,22H,4,6-10H2,1-3H3/t11-,12+,14-,15-,18+/m1/s1
• InChIKey: RRIMIQDGHHBXCP-BXPDPKNNSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 549.217°C at 760 mmHg (Cal.)
• Flash point: 285.957°C (Cal.)