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Granatomycin E

CAT: 0013-GTR19229305-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229305-01Size:1 mg
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Description
Granatomycin E (CAS 71203-17-3) is a research compound used in life science studies. It serves as a valuable tool in biochemical research, with applications in both in vitro and in vivo experimental models for investigating biological mechanisms.
CAS Number
71203-17-3
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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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