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Hierochin D

CAT: 0804-HY-N4045Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N4045Size:1 Each
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Description
Hierochin D ((7S,8R) -Hierochin D) is a product that can be isolated from [1].
CAS Number
155759-02-7
Product Name Alternative
(7S,8R) -Hierochin D
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hierochin-d.html
Smiles
OC[C@H]1C2=CC(/C=C/CO)=CC(O)=C2O[C@@H]1C3=CC(OC)=C(C=C3)O
Molecular Formula
C19H20O6
Molecular Weight
344.36
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hierochin D

(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-((E)-3-hydroxyprop-1-en-1-yl)-2,3-dihydrobenzofuran-7-ol has been reported in Anastatica hierochuntica with data available.

CAS Number155759-02-7
PubChem CID91884981
IUPAC Name(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1-benzofuran-7-ol
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP1.6
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity455
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)/C=C/CO)O)CO)O
InChI
InChI=1S/C19H20O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h2-5,7-9,14,18,20-23H,6,10H2,1H3/b3-2+/t14-,18+/m0/s1
InChIKey
OSZZBMLGHKRVIR-AMVWBUNWSA-N
Chemical Structure
2D Structure
2D structure of Hierochin D
CAS: 155759-02-7
CID: 91884981
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area99.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19181386Hierochin D

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