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Hongoquercin B

CAT: 0013-GTR19255569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255569-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hongoquercin B is a sesquiterpenoid antibiotic. It exhibits resistance to vancomycin-resistant Enterococcus faecium (VRE) only at high concentrations.
CAS Number
213338-47-7
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12[C@@]3 ([C@] (C) (OC=4C (C3) =C (O) C (C (O) =O) =C (C) C4) CC[C@]1 (C (C) (C) [C@@H] (OC (C) =O) CC2) [H]) [H]
Molecular Formula
C25H34O6
Molecular Weight
430.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hongoquercin B

Hongoquercin B is a member of hydroxyisoflavans.

CAS Number213338-47-7
PubChem CID10622534
IUPAC Name(3S,4aR,6aR,12aR,12bS)-3-acetyloxy-11-hydroxy-4,4,6a,9,12b-pentamethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-10-carboxylic acid
Molecular FormulaC25H34O6
Molecular Weight430.5
XLogP5.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity748
SMILES
CC1=CC2=C(C[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3(O2)C)(C)C)OC(=O)C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C25H34O6/c1-13-11-16-15(21(27)20(13)22(28)29)12-18-24(5)9-8-19(30-14(2)26)23(3,4)17(24)7-10-25(18,6)31-16/h11,17-19,27H,7-10,12H2,1-6H3,(H,28,29)/t17-,18+,19-,24-,25+/m0/s1
InChIKey
JJEZUNHVLOCFHS-KSDLHCFASA-N
Chemical Structure
2D Structure
2D structure of Hongoquercin B
CAS: 213338-47-7
CID: 10622534
Formula: C25H34O6
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass430.23553880
Monoisotopic Mass430.23553880
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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