CAS
56149-06-5 Purity
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56149-06-5 Purity
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Doxorubicinolone
CAS
56149-23-6
Catalog Number
ACM56149236
Category
Other Products
Molecular Weight
416.38
Molecular Formula
C21H20O9
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Specification
Synonyms
Adriamycinol Aglycone
IUPAC Name
(7S,9S)-9-[(1S)-1,2-dihydroxyethyl]-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Canonical SMILES
COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)([C@H](CO)O)O)C(=C3C2=O)O)O
InChI
InChI=1S/C21H20O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,12,22-24,26-27,29H,5-7H2,1H3/t10-,12-,21-/m0/s1
InChI Key
CGVVIRBOJFDFBH-FPQVQZPGSA-N
Boiling Point
748.6 °C at 760 mmHg (Predicted)
Melting Point
192-197 °C
Flash Point
267.5±26.4 °C
Density
1.7 g/cm3(Predicted)
Appearance
Red Solid
H-Bond Acceptor
9
H-Bond Donor
6
Refractive Index
1.745
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