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2,3-Dihydroxypterodontic acid

CAT: 0013-GTR19182693Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182693Size:5 mg
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Description
2,3-Dihydroxypterodontic acid (CAS 185821-32-3) is a natural product used in life science research. It serves as a biochemical tool for in vitro studies, particularly in the investigation of enzymatic pathways and metabolic processes relevant to microbial and plant biochemistry.
CAS Number
185821-32-3
Smiles
C[C@H]1[C@@H] (O) [C@H] (O) C[C@]2 (C) CC[C@H] (C=C12) C (=C) C (O) =O
Molecular Formula
C15H22O4
Molecular Weight
266.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Dihydroxypterodontic acid

2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid has been reported in Laggera pterodonta and Laggera crispata with data available.

CAS Number185821-32-3
PubChem CID23872152
IUPAC Name2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP1.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity439
SMILES
C[C@H]1[C@H]([C@@H](C[C@]2(C1=C[C@@H](CC2)C(=C)C(=O)O)C)O)O
InChI
InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-15(3)7-12(16)13(17)9(2)11(15)6-10/h6,9-10,12-13,16-17H,1,4-5,7H2,2-3H3,(H,18,19)/t9-,10-,12-,13-,15+/m1/s1
InChIKey
MNLUMTSGGLOUCH-WHLPLNIVSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxypterodontic acid
CAS: 185821-32-3
CID: 23872152
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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