5-(Diaminomethylideneamino)-2-[[8-[[14-Hydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl]Oxy]-8-Oxooctanoyl]Amino]Pentanoic Acid
[CAS# 35455-33-5]

Identification

• Name: 5-(Diaminomethylideneamino)-2-[[8-[[14-Hydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl]Oxy]-8-Oxooctanoyl]Amino]Pentanoic Acid
• Synonyms: 5-Guanidino-2-[[8-[[14-Hydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-8-Oxo-Octanoyl]Amino]Pentanoic Acid; 5-Guanidino-2-[[8-[[14-Hydroxy-10,13-Dimethyl-17-(6-Oxo-3-Pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-1,8-Dioxooctyl]Amino]Pentanoic Acid; 5-Guanidino-2-[[8-[[14-Hydroxy-17-(6-Ketopyran-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-8-Keto-Octanoyl]Amino]Valeric Acid
• Molecular Formula: C₃₈H₅₈N₄O₈
• Molecular Weight: 698.90
• CAS Registry Number: 35455-33-5
• SMILES: C(C(OC5CC4C(C1C(C2(O)C(CC1)(C(CC2)C3=COC(=O)C=C3)C)CC4)(CC5)C)=O)CCCCCC(=O)NC(CCCN=C(N)N)C(O)=O
• InChI: 1S/C38H58N4O8/c1-36-18-15-26(50-33(45)10-6-4-3-5-9-31(43)42-30(34(46)47)8-7-21-41-35(39)40)22-25(36)12-13-29-28(36)16-19-37(2)27(17-20-38(29,37)48)24-11-14-32(44)49-23-24/h11,14,23,25-30,48H,3-10,12-13,15-22H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)
• InChIKey: DIWIHIOEFFEDHN-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)