Products for Research Use Only
RegisterLogin

Dehydroabietic acid

CAT: 0024-sc-499572DSize: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-499572DSize:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1740-19-8

Chemical Information

Dehydroabietic Acid

Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is a monocarboxylic acid, an abietane diterpenoid and a carbotricyclic compound. It is functionally related to an abietic acid. It is a conjugate acid of a dehydroabietate.

CAS Number1740-19-8
PubChem CID94391
IUPAC Name(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP5.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity443
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C
InChI
InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-N
Chemical Structure
2D Structure
2D structure of Dehydroabietic Acid
CAS: 1740-19-8
CID: 94391
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity443
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

Related Products

CatalogName
sc-239657Dehydroacetic acid
sc-239658CDehydroacetic acid sodium salt
sc-239658ADehydroacetic acid sodium salt
sc-239658Dehydroacetic acid sodium salt
sc-239658BDehydroacetic acid sodium salt
sc-234522Dehydroacetic acid sodium salt monohydrate
sc-207666Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835Chenodeoxycholic acid, free acid
sc-278835AChenodeoxycholic acid, free acid
sc-489909Fluvoxamine Acid Trifluoroacetic Acid Salt

Alternative Products

CatalogName
N2850-10Dehydroabietic acid
MBS3611463-01(+)-Dehydroabietic acid
GK6736-250mg(+) -Dehydroabietic acid

Popular Products