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Henricine

CAT: 0804-HY-N13437Size: 1 EachDry Ice: NoHazardous: No
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Description
Henricine is a natural product[1].
CAS Number
107783-46-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/henricine.html
Smiles
C[C@@H]1[C@H](O[C@H](C2=CC=C(OCO3)C3=C2)[C@@H]1C)C4=CC(OC)=C(C(OC)=C4)OC
Molecular Formula
C22H26O6
Molecular Weight
386.44
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Henricin
CAS Number107783-46-0
PubChem CID77106968
IUPAC Name5-[(2S,3R,4S,5S)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-1,3-benzodioxole
Molecular FormulaC22H26O6
Molecular Weight386.4
XLogP4.2
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity501
SMILES
C[C@@H]1[C@@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C
InChI
InChI=1S/C22H26O6/c1-12-13(2)21(15-9-18(23-3)22(25-5)19(10-15)24-4)28-20(12)14-6-7-16-17(8-14)27-11-26-16/h6-10,12-13,20-21H,11H2,1-5H3/t12-,13+,20+,21+/m1/s1
InChIKey
WHNJCTMEGTVMBR-KNRKYQCFSA-N
Chemical Structure
2D Structure
2D structure of Henricin
CAS: 107783-46-0
CID: 77106968
Formula: C22H26O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass386.17293854
Monoisotopic Mass386.17293854
Topological Polar Surface Area55.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity501
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
GTR19179317Henricine

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