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Hemi-Oxanthromicin A

CAT: 0931-TN8439-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8439-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91161-78-3
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Hemi-Oxanthromicin A is a polyketide compound that can be extracted from actinomycetes.
Smiles
O=C(O)C1=C(O)C=C2C(C(=O)C3=C(O)C(=CC=C3C2(O)C)C)=C1C
Molecular Formula
C18H16O6
Molecular Weight
328.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9,10-Dihydro-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxo-2-anthracenecarboxylic acid

(±)-hemi-oxanthromicin A has been reported in Streptomyces with data available.

CAS Number91161-78-3
PubChem CID127054556
IUPAC Name3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
Molecular FormulaC18H16O6
Molecular Weight328.3
XLogP3.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity548
SMILES
CC1=C(C2=C(C=C1)C(C3=CC(=C(C(=C3C2=O)C)C(=O)O)O)(C)O)O
InChI
InChI=1S/C18H16O6/c1-7-4-5-9-14(15(7)20)16(21)12-8(2)13(17(22)23)11(19)6-10(12)18(9,3)24/h4-6,19-20,24H,1-3H3,(H,22,23)
InChIKey
PNVBFQKQGYNSAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Dihydro-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxo-2-anthracenecarboxylic acid
CAS: 91161-78-3
CID: 127054556
Formula: C18H16O6
MW: 328.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.3
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass328.09468823
Monoisotopic Mass328.09468823
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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