Decaplanin
[CAS# 128441-18-9]

Identification

• Name: Decaplanin
• Synonyms: M86-1410; Decaplanin; Mm 47761
• Molecular Formula: C₇₂H₈₆ClN₉O₂₈
• Molecular Weight: 1560.97
• CAS Registry Number: 128441-18-9
• SMILES: C1=C(O)C=C(O)C%10=C1C(NC(=O)C6NC(=O)C(NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC)CC(C)C)C(O)C9=CC=C(OC3=CC2=CC(=C3OC4OC(C(O)C(O)C4OC5OC(C(O)C(O)C5O)C)CO)OC8=CC=C(C6OC7OC(C(O)C(N)(C7)C)C)C=C8)C(=C9)Cl)CC(=O)N)C%11=CC%10=C(O)C=C%11)C(=O)O
• InChI: 1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)
• InChIKey: SJSZMXQSCZCGFO-UHFFFAOYSA-N

Properties

• Density: 1.645g/cm³ (Cal.)