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Elloramycin

CAT: 0013-GTR19256175-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256175-02Size:50 mg
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Description
Elloramycin exhibits mild activity against Gram-positive bacteria, streptomycetes, and L-1210 leukemia cells, but it is ineffective against P388 leukemia cells in mice. Additionally, it demonstrates significant inhibitory effects on streptomycetes, including actinomyces, within the brackets.
CAS Number
97218-42-3
Field of Research
Infectious Disease & Virology
Smiles
O (C) [C@@]12[C@@] (O) (C (=O) C=3C (C1=O) =C (O) C=4C (C3) =CC (O[C@H]5[C@H] (OC) [C@H] (OC) [C@@H] (OC) [C@H] (C) O5) =C (C (OC) =O) C4C) [C@H] (O) C (OC) =CC2=O
Molecular Formula
C32H36O15
Molecular Weight
660.619
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elloramycin

Elloramycin A is a member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively. It has a role as an antimicrobial agent and a bacterial metabolite. It is a tertiary alpha-hydroxy ketone, a methyl ester, an alpha-L-rhamnoside, a carboxylic ester, a member of phenols, an enol ether, a tetracenomycin, an enone and a monosaccharide derivative. It is functionally related to a tetracenomycin C.

CAS Number97218-42-3
PubChem CID10009567
IUPAC Namemethyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-7H-tetracene-2-carboxylate
Molecular FormulaC32H36O15
Molecular Weight660.6
XLogP1
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count47
Formal Charge0
Complexity1280
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=CC4=C(C(=C3C(=C2C(=O)OC)C)O)C(=O)[C@@]5(C(=O)C=C([C@H]([C@@]5(C4=O)O)O)OC)OC)OC)OC)OC
InChI
InChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1
InChIKey
OYEXGNNKRQPUBW-FJYHMNRNSA-N
Chemical Structure
2D Structure
2D structure of Elloramycin
CAS: 97218-42-3
CID: 10009567
Formula: C32H36O15
MW: 660.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.6
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass660.20542044
Monoisotopic Mass660.20542044
Topological Polar Surface Area203 Ų
Heavy Atom Count47
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14747Elloramycin

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