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Granatomycin B

CAT: 0013-GTR19229306-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229306-02Size:5 mg
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Description
Granatomycin B (CAS 71203-18-4) is a research compound used in life science studies. It serves as a biochemical tool for in vitro investigations, including antimicrobial and cytotoxic activity assays, as referenced in scientific literature.
CAS Number
71203-18-4
Field of Research
Infectious Disease & Virology
Smiles
COC (=O) C[C@@H]1O[C@@H] (C) C2=C ([C@@H]1O) C (=O) c1c (O) c3C4CC (O) C (O) (C (C) O4) c3c (O) c1C2=O
Molecular Formula
C23H24O11
Molecular Weight
476.434
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Granatomycin B
CAS Number71203-18-4
PubChem CID132939229
IUPAC Namemethyl 2-[(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]acetate
Molecular FormulaC23H24O11
Molecular Weight476.4
XLogP-0.9
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity961
SMILES
C[C@H]1C2=C([C@@H]([C@@H](O1)CC(=O)OC)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C5CC(C4(C(O5)C)O)O)O
InChI
InChI=1S/C23H24O11/c1-6-12-14(18(26)9(33-6)5-11(25)32-3)21(29)15-16(19(12)27)22(30)17-13(20(15)28)8-4-10(24)23(17,31)7(2)34-8/h6-10,18,24,26-27,29,31H,4-5H2,1-3H3/t6-,7?,8?,9-,10?,18+,23?/m0/s1
InChIKey
OUSFRMRUMIYAOA-JASFZAJVSA-N
Chemical Structure
2D Structure
2D structure of Granatomycin B
CAS: 71203-18-4
CID: 132939229
Formula: C23H24O11
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass476.13186158
Monoisotopic Mass476.13186158
Topological Polar Surface Area180 Ų
Heavy Atom Count34
Formal Charge0
Complexity961
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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