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Granatomycin E

CAT: 0931-T124349-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T124349-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71203-17-3
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Granatomycin E is a useful organic compound for research related to life sciences. The catalog number is T124349 and the CAS number is 71203-17-3.
Smiles
C[C@@H]1O[C@@H](CC(O)=O)[C@@H](O)C2=C1C(=O)c1c(O)c3c(C4CC(O)C3(O)C(C)O4)c(O)c1C2=O
Molecular Formula
C22H22O11
Molecular Weight
462.407
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Granatomycin E

Granatomycin E has been reported in Streptomyces thermoviolaceus and Streptomyces thermodiastaticus with data available.

CAS Number71203-17-3
PubChem CID132331203
IUPAC Name2-[(7S,9S,10S)-1,5,10,12,19-pentahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl]acetic acid
Molecular FormulaC22H22O11
Molecular Weight462.4
XLogP-1.2
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity945
SMILES
C[C@H]1C2=C([C@@H]([C@@H](O1)CC(=O)O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C5CC(C4(C(O5)C)O)O)O
InChI
InChI=1S/C22H22O11/c1-5-11-13(17(26)8(32-5)4-10(24)25)20(29)14-15(18(11)27)21(30)16-12(19(14)28)7-3-9(23)22(16,31)6(2)33-7/h5-9,17,23,26-27,29,31H,3-4H2,1-2H3,(H,24,25)/t5-,6?,7?,8-,9?,17+,22?/m0/s1
InChIKey
ABHOBVJKBDCTNB-SQIZHHNWSA-N
Chemical Structure
2D Structure
2D structure of Granatomycin E
CAS: 71203-17-3
CID: 132331203
Formula: C22H22O11
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP3-1.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass462.11621151
Monoisotopic Mass462.11621151
Topological Polar Surface Area191 Ų
Heavy Atom Count33
Formal Charge0
Complexity945
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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