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Huperzine C

CAT: 0572-TRC-H673920-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H673920-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163089-71-2
Hazard Statement
No Data Available
Smiles
CC1=CC2CC3=C(C=CC(=O)N3)C(N)(C1)C2C=C
Molecular Formula
C15 H18 N2 O
Molecular Weight
242.316
InChI
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10-11H,1,7-8,16H2,2H3,(H,17,18)
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Huperzine C

(1R,9R,13R)-1-amino-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol has been reported in Lycopodiastrum casuarinoides with data available.

CAS Number163089-71-2
PubChem CID10198698
IUPAC Name(1R,9R,13R)-1-amino-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Molecular FormulaC15H18N2O
Molecular Weight242.32
XLogP0.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity527
SMILES
CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@](C1)([C@@H]2C=C)N
InChI
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10-11H,1,7-8,16H2,2H3,(H,17,18)/t10-,11+,15+/m0/s1
InChIKey
IZGRHSRWTILCID-FIXISWKDSA-N
Chemical Structure
2D Structure
2D structure of Huperzine C
CAS: 163089-71-2
CID: 10198698
Formula: C15H18N2O
MW: 242.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.32
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass242.141913202
Monoisotopic Mass242.141913202
Topological Polar Surface Area55.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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