8'-Hydroxydihydroergotamine
[CAS# 90650-44-5]

Identification

• Name: 8'-Hydroxydihydroergotamine
• Synonyms: Ergotaman-3',6',18-Trione, 9,10-Dihydro-8',12'-Dihydroxy-2'-Methyl-5'-(Phenylmethyl)-, (5'Alpha,10Alpha)-
• Molecular Formula: C₃₃H₃₇N₅O₆
• Molecular Weight: 599.69
• CAS Registry Number: 90650-44-5
• SMILES: [C@]56(O[C@@](NC(=O)[C@@H]1CC3[C@H](N(C1)C)CC2=C[NH]C4=C2C3=CC=C4)(C(=O)N5[C@H](C(=O)N7[C@H]6CCC7O)CC8=CC=CC=C8)C)O
• InChI: 1S/C33H37N5O6/c1-32(35-29(40)20-14-22-21-9-6-10-23-28(21)19(16-34-23)15-24(22)36(2)17-20)31(42)38-25(13-18-7-4-3-5-8-18)30(41)37-26(11-12-27(37)39)33(38,43)44-32/h3-10,16,20,22,24-27,34,39,43H,11-15,17H2,1-2H3,(H,35,40)/t20-,22?,24-,25+,26+,27?,32-,33+/m1
• InChIKey: AHRNWGXNCFKOII-UYPVSMPXSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 937.574°C at 760 mmHg (Cal.)
• Flash point: 520.826°C (Cal.)