(10R,10'R)-10,10'-Dioxybis(3,8-dihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid) | CAS No. 1616622-08-2

(10R,10'R)-10,10'-Dioxybis(3,8-dihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid)

Basic Information

CAS Number

1616622-08-2

Molecular Formula

C36H30O12

Molecular Weight

654.62 g/mol

AD

Basic Physical Properties

Oc1c(C)ccc2c1C(=O)c1c(C)c(C(=O)O)c(cc1[C@@]2(C)OO[C@]1(C)c2cc(O)c(c(c2C(=O)c2c1ccc(c2O)C)C)C(=O)O)O

InChI

InChI=1S/C36H30O12/c1-13-7-9-17-27(29(13)39)31(41)23-15(3)25(33(43)44)21(37)11-19(23)35(17,5)47-48-36(6)18-10-8-14(2)30(40)28(18)32(42)24-16(4)26(34(45)46)22(38)12-20(24)36/h7-12,37-40H,1-6H3,(H,43,44)(H,45,46)/t35-,36-/m0/s1

InChIKey

IEVJARSTOGQGJT-ZPGRZCPFSA-N

LogP

5.403280000000007

Topological Polar Surface Area

208.11999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

1220

Synonyms & References

English

  • (+)-Oxanthromicin
  • 1
  • (10R)-10-[(9R)-3-Carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7

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