Structure

Isopimaric Acid

CAS
5835-26-7
Catalog Number
ACM5835267
Category
Other Products
Molecular Weight
302.46
Molecular Formula
C20H30O2

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Specification

Synonyms
1-phenanthrenecarboxylicacid,7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahyd;7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylicaci;13-Methyl-17-norabieta-7,15-diene-18-oic acid;13β-Methyl-13-vinylpodocarp-7-en-18-oic acid;(-)-13β-Methyl-13-vinylpodocarp-7-en-15-oic Acid;(1R,4aR,4bS,7S,10aR)-7-Ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-triMethyl-1-phenanthrenecarboxylic Acid;7,15-IsopiMaradien-18-oic Acid;Δ7,15-IsopiMaric Acid
IUPAC Name
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Canonical SMILES
CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)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/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
InChI Key
MXYATHGRPJZBNA-KRFUXDQASA-N
Appearance
Powder
Supplemental Hazard Statements
H400
Symbol
GHS09
What is the molecular formula of isopimaric acid?

The molecular formula of isopimaric acid is C20H30O2.

What is the molecular weight of isopimaric acid?

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

What is the IUPAC name of isopimaric acid?

The IUPAC name of isopimaric acid is (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid.

Is isopimaric acid a natural product?

Yes, isopimaric acid is a natural product found in certain organisms like Pinus brutia var. eldarica and Halocarpus bidwillii.

What are some synonyms of isopimaric acid?

Some synonyms of isopimaric acid include ISOPIMARIC ACID, 5835-26-7, 4-Epi-isopimaric acid, and Isopimaric acid A.

What is the InChIKey of isopimaric acid?

The InChIKey of isopimaric acid is MXYATHGRPJZBNA-KRFUXDQASA-N.

What is the European Community (EC) Number of isopimaric acid?

The European Community (EC) Number of isopimaric acid is 635-236-9.

What is the XLogP3-AA value of isopimaric acid?

The XLogP3-AA value of isopimaric acid is 5.3.

How many hydrogen bond donor counts does isopimaric acid have?

Isopimaric acid has 1 hydrogen bond donor count.

What is the topological polar surface area of isopimaric acid?

The topological polar surface area of isopimaric acid is 37.3 Ų.

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