Roxbin A
[CAS# 109742-47-4]

Identification

• Name: Roxbin A
• Synonyms: Roxbin A
• Molecular Formula: C₇₅H₅₀O₄₈
• Molecular Weight: 1719.19
• CAS Registry Number: 109742-47-4
• SMILES: C1=C%10C(=C(C(=C1OC2=C(C(=C(C=C2C(OC7OC4C(OC(C3=CC(=C(C(=C3C5=C(C(OC4)=O)C=C(C(=C5O)O)O)O)O)O)=O)C8OC(C6=CC(=C(C(=C6C9=C(C(OC78)=O)C=C(C(=C9O)O)O)O)O)O)=O)=O)O)O)O)O)O)C%14=C(C(OC(C(COC%10=O)O)C%12OC(C%13=C(C%11=C(C(=C(C=C%11C(OC%12C=O)=O)O)O)O)C(=C(C(=C%13)O)O)O)=O)=O)C=C(C(=C%14O)O)O
• InChI: 1S/C75H50O48/c76-10-32-62(119-70(108)17-5-26(81)45(89)54(98)37(17)35-14(68(106)116-32)2-23(78)43(87)52(35)96)61-30(85)11-113-67(105)20-9-31(50(94)58(102)41(20)40-15(69(107)118-61)3-24(79)48(92)57(40)101)115-60-21(8-29(84)49(93)59(60)103)74(112)123-75-65-64(121-72(110)18-6-27(82)46(90)55(99)38(18)39-19(73(111)122-65)7-28(83)47(91)56(39)100)63-33(117-75)12-114-66(104)13-1-22(77)42(86)51(95)34(13)36-16(71(109)120-63)4-25(80)44(88)53(36)97/h1-10,30,32-33,61-65,75,77-103H,11-12H2
• InChIKey: MYUFKDXZTBKLJT-UHFFFAOYSA-N

Properties

• Density: 2.32g/cm³ (Cal.)