MedKoo Cat#: 571375 | Name: Methyl abietate
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Description:

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

Methyl abietate is a metabolic product of abietic acid and methyl ester, and may cause skin and eye irritation.

Chemical Structure

Methyl abietate
Methyl abietate
CAS#127-25-3

Theoretical Analysis

MedKoo Cat#: 571375

Name: Methyl abietate

CAS#: 127-25-3

Chemical Formula: C21H32O2

Exact Mass: 316.2402

Molecular Weight: 316.49

Elemental Analysis: C, 79.70; H, 10.19; O, 10.11

Price and Availability

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1g USD 550.00 2 Weeks
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Related CAS #
No Data
Synonym
Methyl abietate; NSC 2141; NSC-2141; NSC2141
IUPAC/Chemical Name
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
InChi Key
OVXRPXGVKBHGQO-UYWIDEMCSA-N
InChi Code
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
SMILES Code
O=C([C@]1(C)CCC[C@]2(C)[C@@]3([H])CCC(C(C)C)=CC3=CC[C@@]12[H])OC
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
>2 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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 316.49 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.

Recalculate based on batch purity %
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: Orpiszewski J, Hebda C, Szykuła J, Powls R, Clasper S, Rees HH. Multiple forms of O-methyltransferase involved in the microbial conversion of abietic acid into methyl abietate by Mycobacterium sp. FEMS Microbiol Lett. 1991 Aug 1;66(2):233-6. PubMed PMID: 1936951. 2: Zhang S, Jiang J, Luan Q. Genetic and correlation analysis of oleoresin chemical components in slash pine. Genet Mol Res. 2016 Aug 29;15(3). doi: 10.4238/gmr.15038982. PubMed PMID: 27706657. 3: Prinz S, Müllner U, Heilmann J, Winkelmann K, Sticher O, Haslinger E, Hüfner A. Oxidation products of abietic acid and its methyl ester. J Nat Prod. 2002 Nov;65(11):1530-4. PubMed PMID: 12444672. 4: Amato ME, Ballistreri FP, Pappalardo A, Tomaselli GA, Toscano RM, Sfrazzetto GT. Selective oxidation reactions of natural compounds with hydrogen peroxide mediated by methyltrioxorhenium. Molecules. 2013 Nov 7;18(11):13754-68. doi: 10.3390/molecules181113754. PubMed PMID: 24213654. 5: Cheng MC, Chang WH, Chen CW, Li WW, Tseng CY, Song TY. Antioxidant Properties of Essential Oil Extracted from Pinus morrisonicola Hay Needles by Supercritical Fluid and Identification of Possible Active Compounds by GC/MS. Molecules. 2015 Oct 20;20(10):19051-65. doi: 10.3390/molecules201019051. PubMed PMID: 26492232. 6: Hausen BM, Krueger A, Mohnert J, Hahn H, König WA. Contact allergy due to colophony (III). Sensitizing potency of resin acids and some related products. Contact Dermatitis. 1989 Jan;20(1):41-50. PubMed PMID: 2914435. 7: Dooms-Goossens A, Degreef H, Luytens E. Dihydroabietyl alcohol (Abitol): a sensitizer in mascara. Contact Dermatitis. 1979 Dec;5(6):350-3. PubMed PMID: 527327. 8: Alencar SM, Oldoni TL, Castro ML, Cabral IS, Costa-Neto CM, Cury JA, Rosalen PL, Ikegaki M. Chemical composition and biological activity of a new type of Brazilian propolis: red propolis. J Ethnopharmacol. 2007 Sep 5;113(2):278-83. Epub 2007 Jun 23. PubMed PMID: 17656055. 9: Foussereau J, Schlewer G, Chabeau G, Reimeringer A. [Allergologic studies of intolerance to rosin]. Derm Beruf Umwelt. 1980;28(1):14-5. French, German. PubMed PMID: 7408638.