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Deacylhericene

CAT: 0013-GTR19243014-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243014-02Size:10 mg
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Description
Deacylhericene is a natural product used in life sciences research. It serves as a research tool in biochemical studies, with applications in both in vitro enzymatic assays and in vivo model systems to investigate biological pathways.
CAS Number
158314-36-4
Smiles
C (/C=C (/CCC=C (C) C) \C) C1=C (OC) C=C (CO) C (C=O) =C1O
Molecular Formula
C19H26O4
Molecular Weight
318.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde

4-(3,7-Dimethyl-2,6-octadienyl)-2-formyl-3-hydroxy-5-methoxybenzyl alcohol has been reported in Hericium erinaceus with data available.

CAS Number158314-36-4
PubChem CID101450482
IUPAC Name3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde
Molecular FormulaC19H26O4
Molecular Weight318.4
XLogP4.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
CC(=CCC/C(=C/CC1=C(C=C(C(=C1O)C=O)CO)OC)/C)C
InChI
InChI=1S/C19H26O4/c1-13(2)6-5-7-14(3)8-9-16-18(23-4)10-15(11-20)17(12-21)19(16)22/h6,8,10,12,20,22H,5,7,9,11H2,1-4H3/b14-8+
InChIKey
TYYYCHNRQXMENM-RIYZIHGNSA-N
Chemical Structure
2D Structure
2D structure of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde
CAS: 158314-36-4
CID: 101450482
Formula: C19H26O4
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass318.18310931
Monoisotopic Mass318.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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