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Isoacuminatanol

CAT: 1410-M39231-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39231-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isoacuminatanol
CAS Number
2446349-77-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
638.5
Molecular Formula
C30H22O16
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(2S,3S)-2-((R)-2',3',4,4',5,6-Hexahydroxy-6'-((2R,3R)-3,5,7-trihydroxy-4-oxochroman-2-yl)-[1,1'-biphenyl]-2-yl)-3,5,7-trihydroxychroman-4-one
CAS Number2446349-77-3
PubChem CID177927944
IUPAC Name(2S,3S)-3,5,7-trihydroxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]phenyl]-2,3-dihydrochromen-4-one
Molecular FormulaC30H22O16
Molecular Weight638.5
XLogP2
Topological Polar Surface Area295
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count3
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
C1=C(C=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C3=CC(=C(C(=C3C4=C(C(=C(C=C4[C@H]5[C@@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H22O16/c31-7-1-11(33)19-15(3-7)45-29(27(43)25(19)41)9-5-13(35)21(37)23(39)17(9)18-10(6-14(36)22(38)24(18)40)30-28(44)26(42)20-12(34)2-8(32)4-16(20)46-30/h1-6,27-40,43-44H/t27-,28+,29+,30-
InChIKey
AULZIDZAMMOASF-LPOKLPNDSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-2-((R)-2',3',4,4',5,6-Hexahydroxy-6'-((2R,3R)-3,5,7-trihydroxy-4-oxochroman-2-yl)-[1,1'-biphenyl]-2-yl)-3,5,7-trihydroxychroman-4-one
CAS: 2446349-77-3
CID: 177927944
Formula: C30H22O16
MW: 638.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.5
XLogP32
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count3
Exact Mass638.09078461
Monoisotopic Mass638.09078461
Topological Polar Surface Area295 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19269319Isoacuminatanol

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