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7′-Methoxylariciresinol

CAT: 0931-T83252-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83252-01Size:5 mg
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CAS Number
848845-01-2
Bioactivity
7′-Methoxylariciresinol, a phenylpropanoid, can be isolated from Crataegus pinnatifida [1].
Smiles
C(O)[C@@H]1[C@H](OC[C@@H]1[C@@H](OC)C2=CC(OC)=C(O)C=C2)C3=CC(OC)=C(O)C=C3
Molecular Formula
C21H26O7
Molecular Weight
390.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

rel-(+)-(2R,3S,4S)-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-3-furanmethanol
CAS Number848845-01-2
PubChem CID162931761
IUPAC Name4-[(2S,3R,4R)-4-[(R)-(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
Molecular FormulaC21H26O7
Molecular Weight390.4
XLogP1.8
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity476
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@H](CO2)[C@H](C3=CC(=C(C=C3)O)OC)OC)CO)O
InChI
InChI=1S/C21H26O7/c1-25-18-8-12(4-6-16(18)23)20(27-3)15-11-28-21(14(15)10-22)13-5-7-17(24)19(9-13)26-2/h4-9,14-15,20-24H,10-11H2,1-3H3/t14-,15-,20-,21+/m0/s1
InChIKey
KDVJSVPEOZSZGS-LATRNWQMSA-N
Chemical Structure
2D Structure
2D structure of rel-(+)-(2R,3S,4S)-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-3-furanmethanol
CAS: 848845-01-2
CID: 162931761
Formula: C21H26O7
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass390.16785316
Monoisotopic Mass390.16785316
Topological Polar Surface Area97.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity476
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

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