Ergoclavine
[CAS# 8052-85-5]

Identification

• Name: Ergoclavine
• Synonyms: Ergoclavin; Ergoclavine; Ergosine Mixt. With Ergosinine
• Molecular Formula: C₆₀H₇₄N₁₀O₁₀
• Molecular Weight: 1095.31
• CAS Registry Number: 8052-85-5
• SMILES: [C@]56(O[C@@](NC(=O)[C@@H]1C=C2[C@H](N(C1)C)CC3=C[NH]C4=CC=CC2=C34)(C(=O)N5[C@H](C(=O)N7[C@H]6CCC7)CC(C)C)C)O.[C@]%12%13(O[C@@](NC(=O)[C@@H]8C=C9[C@@H](N(C8)C)CC%10=C[NH]C%11=CC=CC9=C%10%11)(C(=O)N%12[C@H](C(=O)N%14[C@H]%13CCC%14)CC(C)C)C)O
• InChI: 1S/2C30H37N5O5/c2*1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h2*5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23+,24+,29-,30+;18-,22-,23+,24+,29-,30+/m11/s1
• InChIKey: LSFUOCCIMVIZMK-UKXVGAOYSA-N

Properties

• Boiling point: 861.4°C at 760 mmHg (Cal.)
• Flash point: 474.7°C (Cal.)