Metabolites-BOC Sciences

Actinorhodin

Actinorhodin - CAS 1397-77-9

Catalog number: BBF-00027

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Catalog Number BBF-00027
CAS 1397-77-9
Description Actinorhodin is a kind of benzoisochromanqunone antibiotic isolated from Str. coelicolor. Actinorhodin has weak antibacterial and antiviral (HIV) ability.
Molecular Formula C32H26O14
Molecular Weight 634.54
Antibiotic Activity Spectrum viruses; bacteria
Synonyms UNII-G4HH387T6Z; G4HH387T6Z; 3,3,4,4,5,5,10,10-Octahydro-6,6,9,9-tetrahydroxy-1β,1β-dimethyl-5,5,10,10-tetraoxo-8,8-bi[1H-naphtho[2,3-c]pyran]-3α,3α-diacetic acid
IUPAC Name 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Canonical SMILES CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C(=CC3=O)C4=CC(=C5C(=C4O)C(=C6C(OC(CC6=C5O)CC(=O)O)C)O)O
InChI InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33,39,41,43H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1
InChI Key MGFJRQUGYNFFDQ-WYUUTHIRSA-N
Boiling Point 918.5°C at 760 mmHg
Melting Point 270°C(dec)
Density 1.632 g/cm3
Appearance Red needle Crystal
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