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(2S) -6,4'-Dihydroxy-7-methoxyflavan

CAT: 0804-HY-N9739-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9739-01Size:1 mg
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Description
(2S) -6,4'-Dihydroxy-7-methoxyflavan is a natural product[1].
CAS Number
202463-50-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2s-6-4-dihydroxy-7-methoxyflavan.html
Smiles
COC1=C(O)C=C(CC[C@@H](C2=CC=C(C=C2)O)O3)C3=C1
Molecular Formula
C16H16O4
Molecular Weight
272.30
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

6,4'-Dihydroxy-7-methoxyflavan

(2S)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol has been reported in Dalbergia cochinchinensis and Dalbergia odorifera with data available.

CAS Number202463-50-1
PubChem CID25181513
IUPAC Name(2S)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol
Molecular FormulaC16H16O4
Molecular Weight272.29
XLogP3.1
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity314
SMILES
COC1=C(C=C2CC[C@H](OC2=C1)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H16O4/c1-19-16-9-15-11(8-13(16)18)4-7-14(20-15)10-2-5-12(17)6-3-10/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3/t14-/m0/s1
InChIKey
RHHDYYWXCOHKMQ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 6,4'-Dihydroxy-7-methoxyflavan
CAS: 202463-50-1
CID: 25181513
Formula: C16H16O4
MW: 272.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.29
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.10485899
Monoisotopic Mass272.10485899
Topological Polar Surface Area58.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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