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Structure

7-Deoxydoxorubicin aglycone

CAS
38554-25-5
Catalog Number
ACM38554255
Category
Other Products
Molecular Weight
398.36
Molecular Formula
C21H18O8

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Specification

Synonyms
7-DEOXYDOXORUBICINONE;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R)-;7-deoxyadriamycin aglycone;(8R)-7,8,9,10-Tetrahydro-6,8α,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;(R)-1-Methoxy-
IUPAC Name
6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Canonical SMILES
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CCC4=C3O)(C(=O)CO)O)O
InChI Key
QHGFPRZWWKUHKF-UHFFFAOYSA-N
Boiling Point
742.7ºC at 760 mmHg
Flash Point
267.6ºC
Density
1.587g/cm³
Appearance
Dark Red Solid
Exact Mass
398.10000
H-Bond Acceptor
8
H-Bond Donor
4
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