Dihydroergocornine
[CAS# 25447-65-8]

Identification

• Name: Dihydroergocornine
• Synonyms: Prestwick1_000569; Prestwick0_000569; Ergocornine, Dihydro- (7Ci)
• Molecular Formula: C₃₁H₄₁N₅O₅
• Molecular Weight: 563.70
• CAS Registry Number: 25447-65-8
• EINECS: 246-992-0
• SMILES: [C@@]56(N(C([C@@](NC([C@@H]4C[C@@H]3C2=C1C(=C[NH]C1=CC=C2)C[C@H]3N(C4)C)=O)(C(C)C)O5)=O)[C@H](C(=O)N7[C@H]6CCC7)C(C)C)O
• InChI: 1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1
• InChIKey: SEALOBQTUQIVGU-QNIJNHAOSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 844.597°C at 760 mmHg (Cal.)
• Flash point: 464.596°C (Cal.)