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Pimaric acid

CAT: 0926-FP27044-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FP27044-02Size:500 mg
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CAS Number
127-27-5
Synonyms
(1R,4aR,4bS,7S,10aR) -7-Ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylic acid
MDL Number
MFCD28988952
Smiles
C[C@]1 (CC[C@H]2C (=C1) CC[C@@H]3[C@@]2 (CCC[C@@]3 (C) C (=O) O) C) C=C
Molecular Formula
C20H30O2
Molecular Weight
302.45 g/mol
Controlled
No

Chemical Information

Pimaric Acid

(+)-Pimaric acid is a diterpenoid.

CAS Number127-27-5
PubChem CID220338
IUPAC Name(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP5.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity534
SMILES
C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C
InChI
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1
InChIKey
MHVJRKBZMUDEEV-APQLOABGSA-N
Chemical Structure
2D Structure
2D structure of Pimaric Acid
CAS: 127-27-5
CID: 220338
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass302.224580195
Monoisotopic Mass302.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity534
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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Alternative Products

CatalogName
TN2075Pimaric acid
RM-P130315-01Pimaric Acid Impurity 15
abx318889-01Pimaric Acid (PA) Antibody
abx585099-01Pimaric Acid (PA) ELISA Kit
abx318892-01Pimaric Acid (PA) Antibody (Biotin)
abx318890-01Pimaric Acid (PA) Antibody (HRP)
abx318891-01Pimaric Acid (PA) Antibody (FITC)
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