Abietic Acid

• CAS: 514-10-3
• Catalog Number: ACM514103
• Category: Other Products
• Molecular Weight: 302.45
• Molecular Formula: C20H30O2
• Synonyms: 13-Isopropyl-podocarpa-13-dien-15-oicacid
• IUPAC Name: (1R,4aR,4bR,10aR)-1,4A-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
• Canonical SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
• InChI: InChI=1S/C20H30O2/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/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
• InChI Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N
• Boiling Point: 440 °C
• Melting Point: 139-142 °C(lit.)
• Flash Point: 208 °C
• Density: 1.06 g/cm³
• Solubility: Soluble in alcohols, acetone, ethers
• Appearance: Yellow solid
• Storage: 2-8 °C
• Complexity: 542
• Exact Mass: 302.224580195
• Hazard Statements: Xi,N
• Isomeric SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
• Monoisotopic Mass: 302.224580195
• Refractive Index: 1.4800
• Safety Description: 26-36
• Supplemental Hazard Statements: H410-H315-H319-H335-H400
• Symbol: GHS07,GHS09
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the molecular formula of abietic acid?

The molecular formula of abietic acid is C20H30O2.

What is the molecular weight of abietic acid?

The molecular weight of abietic acid is 302.5 g/mol.

What is the structure of abietic acid?

Abietic acid is an abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.

What are some synonyms for abietic acid?

Some synonyms for abietic acid include Sylvic acid, Abietate, and l-Abietic acid.

What role does abietic acid have in plants?

Abietic acid has a role as a plant metabolite.

In which organisms can abietic acid be found?

Abietic acid is a natural product found in Ceroplastes pseudoceriferus, Pinus brutia var. eldarica, and other organisms with available data.

What is the InChIKey for abietic acid?

The InChIKey for abietic acid is RSWGJHLUYNHPMX-ONCXSQPRSA-N.

What is the Canonical SMILES for abietic acid?

The Canonical SMILES for abietic acid is CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C.

What is the ChEMBL ID for abietic acid?

The ChEMBL ID for abietic acid is CHEMBL71893.

What is the Wikipedia page for abietic acid?

The Wikipedia page for abietic acid is Abietic_acid.