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Hericene C

CAT: 0013-GTR19243018-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243018-01Size:50 mg
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Description
Hericene C is a natural product for life science research. Studies indicate it has been investigated in vitro for its potential neurotrophic and neuroprotective properties, relevant to neuroscience and cognitive health research.
CAS Number
157207-56-2
Smiles
C (OC (CCCCCCCCCCCCCCCCC) =O) C1=C (C=O) C (O) =C (C/C=C (/CCC=C (C) C) \C) C (OC) =C1
Molecular Formula
C37H60O5
Molecular Weight
584.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hericene C

Hericene C is a monoterpenoid.

CAS Number157207-56-2
PubChem CID92035057
IUPAC Name[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
Molecular FormulaC37H60O5
Molecular Weight584.9
XLogP13.4
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count26
Heavy Atom Count42
Formal Charge0
Complexity753
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CCC=C(C)C)OC
InChI
InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+
InChIKey
MUPDKCFZUFURPT-QCKNELIISA-N
Chemical Structure
2D Structure
2D structure of Hericene C
CAS: 157207-56-2
CID: 92035057
Formula: C37H60O5
MW: 584.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.9
XLogP313.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count26
Exact Mass584.44407501
Monoisotopic Mass584.44407501
Topological Polar Surface Area72.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity753
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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