(3S,4S,4'S,4aR,4'aR)-4-(Acetyloxy)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4',8,8'-Pentahydroxy-3,6'-Dimethyl-9,9'-Dioxo-[5,7'-Bi-4aH-Xanthene]-4a,4'a-Dicarboxylic Acid 4a,4'a-Dimethyl Ester
[CAS# 212709-11-0]

Identification

• Name: (3S,4S,4'S,4aR,4'aR)-4-(Acetyloxy)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4',8,8'-Pentahydroxy-3,6'-Dimethyl-9,9'-Dioxo-[5,7'-Bi-4aH-Xanthene]-4a,4'a-Dicarboxylic Acid 4a,4'a-Dimethyl Ester
• Synonyms: NEOSARTORIN
• Molecular Formula: C₃₄H₃₂O₁₅
• Molecular Weight: 680.61
• CAS Registry Number: 212709-11-0
• SMILES: COC(=O)[C@]12Oc3c(ccc(c3C(=O)C2=C(C[C@@H]([C@@H]1OC(=O)C)C)O)O)c1c(C)cc2c(c1O)C(=O)C1=C(O)CC[C@@H]([C@@]1(O2)C(=O)OC)O
• InChI: 1S/C34H32O15/c1-12-11-19-23(28(42)24-17(37)8-9-20(39)33(24,48-19)31(43)45-4)26(40)21(12)15-6-7-16(36)22-27(41)25-18(38)10-13(2)30(47-14(3)35)34(25,32(44)46-5)49-29(15)22/h6-7,11,13,20,30,36-40H,