Dihydroagathic acid | CAS#5956-15-0 | isocupressic acid metabolite

MedKoo Cat#: 598175 | Name: Dihydroagathic acid

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Dihydroagathic acid is a metabolite of isocupressic acid.

Chemical Structure

Dihydroagathic acid

CAS#5956-15-0

Theoretical Analysis

MedKoo Cat#: 598175

Name: Dihydroagathic acid

CAS#: 5956-15-0

Chemical Formula: C20H32O4

Exact Mass: 336.2301

Molecular Weight: 336.47

Elemental Analysis: C, 71.39; H, 9.59; O, 19.02

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Dihydroagathic acid;

IUPAC/Chemical Name

(1S,4aR,5S,8aR)-5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid

InChi Key

HPQKNJHVWUWAOR-OVODCCOESA-N

InChi Code

InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13?,15-,16+,19+,20-/m0/s1

SMILES Code

O=C(O)CC(C)CC[C@H]1C(CC[C@@]2([H])[C@@](C)(C(O)=O)CCC[C@]12C)=C

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 336.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Snider DB, Gardner DR, Janke BH, Ensley SM. Pine needle abortion biomarker detected in bovine fetal fluids. J Vet Diagn Invest. 2015 Jan;27(1):74-9. doi: 10.1177/1040638714554443. Epub 2014 Nov 26. PubMed PMID: 25428187. 2: Lin SJ, Short RE, Ford SP, Grings EE, Rosazza JP. In vitro biotransformations of isocupressic acid by cow rumen preparations: formation of agathic and dihydroagathic acids. J Nat Prod. 1998 Jan;61(1):51-6. PubMed PMID: 9461652. 3: Gardner DR, Panter KE, James LF. Pine needle abortion in cattle: metabolism of isocupressic acid. J Agric Food Chem. 1999 Jul;47(7):2891-7. PubMed PMID: 10552582. 4: Gardner DR, Panter KE, Stegelmeier BL. Implication of agathic acid from Utah juniper bark as an abortifacient compound in cattle. J Appl Toxicol. 2010 Mar;30(2):115-9. doi: 10.1002/jat.1476. PubMed PMID: 19757408. 5: Lee ST, Gardner DR, Garrosian M, Panter KE, Serrequi AN, Schoch TK, Stegelmeier BL. Development of enzyme-linked immunosorbent assays for isocupressic acid and serum metabolites of isocupressic acid. J Agric Food Chem. 2003 May 21;51(11):3228-33. PubMed PMID: 12744647.