(4R-(4alpha,4abeta,7abeta,15beta,18R*,20S*))-6-Chloro-2,3,4,7,8,13,15,17-Octahydro-1,4,9,12,14,16-Hexahydroxy-18-Methyl-8,13,17-Trioxo-4aH-7a,15-Endo-Oxiranonaphtho(2',3':4,5)Cyclohepta(1,2-b)Xanthene-4a-Carboxylic Acid Methyl Ester
[CAS# 137622-91-4]

Identification

• Name: (4R-(4alpha,4abeta,7abeta,15beta,18R*,20S*))-6-Chloro-2,3,4,7,8,13,15,17-Octahydro-1,4,9,12,14,16-Hexahydroxy-18-Methyl-8,13,17-Trioxo-4aH-7a,15-Endo-Oxiranonaphtho(2',3':4,5)Cyclohepta(1,2-b)Xanthene-4a-Carboxylic Acid Methyl Ester
• Synonyms: Beticolin 2; Beticolin-2
• Molecular Formula: C₃₁H₂₃ClO₁₃
• Molecular Weight: 638.97
• CAS Registry Number: 137622-91-4
• SMILES: C8=CC(=C7C(=C2C3(C1OC1(C(C2=O)C5=C(C3)C(=C4OC6(C(=C(O)C4=C5O)C(=O)CCC6O)C(OC)=O)Cl)C)C(=O)C7=C8O)O)O
• InChI: 1S/C31H23ClO13/c1-29-18-13-8(7-30(27(29)45-29)19(24(18)40)22(38)14-9(33)3-4-10(34)15(14)26(30)41)20(32)25-16(21(13)37)23(39)17-11(35)5-6-12(36)31(17,44-25)28(42)43-2/h3-4,12,18,27,33-34,36-39H,5-7H2,1-2H3
• InChIKey: KWKVKMGRGLNLIZ-UHFFFAOYSA-N

Properties

• Density: 1.929g/cm³ (Cal.)