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Elsamicin B

CAT: 0013-GTR19256029-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256029-01Size:10 mg
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Description
Elsamicin B is an antitumor antibiotic belonging to the Chartreusin group.
CAS Number
97068-31-0
Field of Research
Infectious Disease & Virology
Smiles
OC=1C2=C3C=4C (C (=O) OC3=C5C1C=CC=C5O[C@H]6[C@H] (O) [C@@] (C) (O) [C@@H] (O) [C@@H] (C) O6) =C (C) C=CC4OC2=O
Molecular Formula
C26H22O10
Molecular Weight
494.447
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elsamicin B

Elsamicin B is a glycoside and a benzochromenone.

CAS Number97068-31-0
PubChem CID5486998
IUPAC Name8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Molecular FormulaC26H22O10
Molecular Weight494.4
XLogP2.9
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count36
Formal Charge0
Complexity911
SMILES
C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O
InChI
InChI=1S/C26H22O10/c1-9-7-8-13-16-14(9)23(30)36-20-15-11(19(27)18(17(16)20)24(31)34-13)5-4-6-12(15)35-25-22(29)26(3,32)21(28)10(2)33-25/h4-8,10,21-22,25,27-29,32H,1-3H3/t10-,21+,22+,25?,26+/m1/s1
InChIKey
HPVDVZANUAGIRR-CFSKDKRZSA-N
Chemical Structure
2D Structure
2D structure of Elsamicin B
CAS: 97068-31-0
CID: 5486998
Formula: C26H22O10
MW: 494.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.4
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass494.12129689
Monoisotopic Mass494.12129689
Topological Polar Surface Area152 Ų
Heavy Atom Count36
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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