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Alpiniaterpene A

CAT: 0804-HY-N2856Size: 1 EachDry Ice: NoHazardous: No
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Description
Alpiniaterpene A is a Sesquiterpenoids product that can be isolated from the rhizomes of Alpinia officinarum.[1].
CAS Number
1448667-05-7
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/alpiniaterpene-a.html
Smiles
OC([C@@H]([C@@]1([H])[C@]2([H])[C@@](CCC(C(OC)=O)=C2)([H])C(CC1)=C)C)=O
Molecular Formula
C16H22O4
Molecular Weight
278.34
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Alpiniaterpene A
CAS Number1448667-05-7
PubChem CID125115428
IUPAC Name(2R)-2-[(1R,4aS,8aS)-7-methoxycarbonyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid
Molecular FormulaC16H22O4
Molecular Weight278.34
XLogP2.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity463
SMILES
C[C@H]([C@@H]1CCC(=C)[C@@H]2[C@@H]1C=C(CC2)C(=O)OC)C(=O)O
InChI
InChI=1S/C16H22O4/c1-9-4-6-13(10(2)15(17)18)14-8-11(16(19)20-3)5-7-12(9)14/h8,10,12-14H,1,4-7H2,2-3H3,(H,17,18)/t10-,12-,13+,14+/m1/s1
InChIKey
QSWDROZZIFWYRS-ZZVYKPCYSA-N
Chemical Structure
2D Structure
2D structure of Alpiniaterpene A
CAS: 1448667-05-7
CID: 125115428
Formula: C16H22O4
MW: 278.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.34
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass278.15180918
Monoisotopic Mass278.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity463
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
GTR19182098Alpiniaterpene A

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