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Grape Seed Extract

CAT: 0607-B3665-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B3665-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
industrial derivatives from whole grape seeds
CAS Number
84929-27-1
Field of Research
Others
Solubility
Soluble in DMSO
Smiles
O[C@H]([C@H](C(C=C1)=CC=C1O)OC2=CC(O)=CC(O)=C32)[C@@H]3C(C(O[C@H]4C(C=C5O)=CC(O)=C5OC)=C(C(O)=C6)C[C@@H]4O)=C6O
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

See also: Grape Seed Extract (annotation moved to); Grape, red, ext. (annotation moved to); Grape, red, extract (annotation moved to) ... View More ...

CAS Number84929-27-1
PubChem CID78577443
IUPAC Name(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular FormulaC32H30O11
Molecular Weight590.6
XLogP3.3
Topological Polar Surface Area201
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity970
SMILES
CC1=CC(=C(C2=C1C[C@@]([C@H](O2)C3=CC(=C(C=C3)O)O)(C)O)[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
InChI
InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3/t27-,28-,29+,31+,32+/m0/s1
InChIKey
VWKAFYWVDIOMSL-PMFFMQSYSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CAS: 84929-27-1
CID: 78577443
Formula: C32H30O11
MW: 590.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.6
XLogP33.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass590.17881177
Monoisotopic Mass590.17881177
Topological Polar Surface Area201 Ų
Heavy Atom Count43
Formal Charge0
Complexity970
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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