Metabolites-BOC Sciences

4-O-Demethyl-11-deoxydoxorubicin

4-O-Demethyl-11-deoxydoxorubicin - CAS 81382-05-0

Catalog number: BBF-00814

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Catalog Number BBF-00814
CAS 81382-05-0
Description 4-O-Demethyl-11-deoxydoxorubicin is an onion ring antibiotic produced by Streptomyces peucetius var aureus. It has anti-gram-positive bacteria, negative bacteria and tumor activity.
Molecular Formula C26H27NO10
Molecular Weight 513.49
Antibiotic Activity Spectrum Gram-positive bacteria; Gram-negative bacteria; neoplastics (Tumor)
Synonyms 1-O-Demethyl-6-deoxydoxorubicin
IUPAC Name (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Canonical SMILES CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C(=O)CO)O)N)O
InChI InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1
InChI Key ROILTUODAPUWLG-NRFWZUBKSA-N
Boiling Point 772.9°C at 760 mmHg
Melting Point 208-210°C(dec.)
Density 1.62 g/cm3
Appearance Orange Crystal
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