Structure

Daunomycinone

CAS
21794-55-8
Catalog Number
ACM21794558
Category
Other Products
Molecular Weight
398.36
Molecular Formula
C21H18O8

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Specification

Synonyms
Daunomycin Aglicone
IUPAC Name
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILES
CC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O
InChI
InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1
InChI Key
YOFDHOWPGULAQF-MQJDWESPSA-N
Boiling Point
677.4 °C at 760 mmHg (Predicted)
Melting Point
208-210 °C
Flash Point
243.4±25.0 °C
Density
1.6±0.1 g/cm3
Appearance
Red Solid
Refractive Index
1.713

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