Roseadine
[CAS# 58005-25-7]

Identification

• Name: Roseadine
• Synonyms: Aspidospermidine-3-Carboxylic Acid, 4-(Acetyloxyl)-6,7-Didehydro-15-(2-(12-Ethyl-1,2,4,5,6,7-Hexahydro-12-Hydroxy-3,6-Ethano-3H-Azocino(5,4-B)Indol-5-Yl)-1-(Methoxycarbonyl)Ethenyl)-3-Hydroxy-16-Methoxy-1-Methyl-, Methyl Ester, (2Beta,3Beta,4Beta,5Alpha,12Beta,15(3R,5R,6R,12R),19Alpha)-; Roseadine; Catharanthus Roseus Alkaloid B99752 F198
• Molecular Formula: C₄₆H₅₆N₄O₉
• Molecular Weight: 808.97
• CAS Registry Number: 58005-25-7
• SMILES: C5=C(\C(=C\C3C4C2=C(C1=CC=CC=C1[NH]2)CCN(C3)CC4(CC)O)C(OC)=O)C(=CC7=C5C69C8C(CC)(C(OC(C)=O)C(C(OC)=O)(O)C6N7C)C=CCN8CC9)OC
• InChI: 1S/C46H56N4O9/c1-8-43-16-12-18-50-20-17-45(39(43)50)32-22-30(35(56-5)23-34(32)48(4)40(45)46(55,42(53)58-7)41(43)59-26(3)51)31(38(52)57-6)21-27-24-49-19-15-29-28-13-10-11-14-33(28)47-37(29)36(27)44(54,9-2)25-49/h10-14,16,21-23,27,36,39-41,47,54-55H,8-9,15,17-20,24-25H2,1-7H3/b31-21-
• InChIKey: JPJKITSCFHYWLR-YQYKVWLJSA-N

Properties

• Density: 1.387g/cm³ (Cal.)