Nauclecosidine
[CAS# 121880-13-5]

Identification

• Name: Nauclecosidine
• Molecular Formula: C₂₅H₂₆N₂O₉
• Molecular Weight: 498.49
• CAS Registry Number: 121880-13-5
• SMILES: [C@H]24N(C(=O)C1=C(OC(=C(C1=C2)C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)O)CCC5=C4[NH]C6=C5C=CC=C6
• InChI: 1S/C25H26N2O9/c1-10-13-8-15-18-12(11-4-2-3-5-14(11)26-18)6-7-27(15)22(32)17(13)23(33)35-24(10)36-25-21(31)20(30)19(29)16(9-28)34-25/h2-5,8,15-16,19-21,25-26,28-31,33H,6-7,9H2,1H3/t15-,16+,19+,20-,21+,25-/m0/s1
• InChIKey: RFCSEFDMNDMFCO-OUCBCNBBSA-N

Properties

• Density: 1.686g/cm³ (Cal.)
• Boiling point: 916.075°C at 760 mmHg (Cal.)
• Flash point: 507.824°C (Cal.)