Metabolites-BOC Sciences

Aclacinomycin B

Aclacinomycin B - CAS 57596-79-9

Catalog number: BBF-00011

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Catalog Number BBF-00011
CAS 57596-79-9
Description Aclacinomycin B is an anthrone antitumor antibiotic isolated from Streptomyces galilaeus.
Molecular Formula C42H51NO15
Molecular Weight 809.85
Antibiotic Activity Spectrum Gram-positive bacteria; neoplastics (Tumor)
Synonyms Antibiotic MA 144B1; Aclarubicin B
IUPAC Name methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Canonical SMILES CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O
InChI InChI=1S/C42H51NO15/c1-8-42(50)16-28(32-21(34(42)40(49)51-7)12-22-33(37(32)48)36(47)31-20(35(22)46)10-9-11-24(31)44)56-29-13-23(43(5)6)38(18(3)52-29)57-30-15-26-39(19(4)53-30)58-41-27(55-26)14-25(45)17(2)54-41/h9-12,17-19,23,26-30,34,38-39,41,44,48,50H,8,13-16H2,1-7H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41-,42+/m0/s1
InChI Key RQHZAASWYUEYCJ-NFJBMJLVSA-N
Boiling Point 873°C at 760 mmHg
Density 1.44 g/cm3
Appearance Yellow Powder
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