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MedKoo Cat#: 463674 | Name: Acetoxyvalerenic Acid
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Description:

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

Acetoxyvalerenic acid is a sesquiterpenic acid that has been found in Valeriana roots. It is cytotoxic to GLC-4 and COLO 320 cells.

Chemical Structure

Acetoxyvalerenic Acid
Acetoxyvalerenic Acid
CAS#84638-55-1

Theoretical Analysis

MedKoo Cat#: 463674

Name: Acetoxyvalerenic Acid

CAS#: 84638-55-1

Chemical Formula: C17H24O4

Exact Mass: 292.1675

Molecular Weight: 292.38

Elemental Analysis: C, 69.84; H, 8.27; O, 21.89

Price and Availability

Size Price Availability Quantity
1mg USD 250.00 2 Weeks
5mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
Acetoxyvalerenic Acid; Acetoxyvalerenic-Acid; Acetylvalerenolic Acid; Acetylvalerenolic-Acid;
IUPAC/Chemical Name
(E)-3-((1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid
InChi Key
VBBXZFLAYWAXSK-HYJCDKNOSA-N
InChi Code
InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
SMILES Code
OC(/C(C)=C/[C@H]1C2=C(C[C@H]([C@@]2([C@H](C)CC1)[H])OC(C)=O)C)=O
Appearance
A solution in ethanol
Purity
>90% (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 292.38 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: Nikzad-Langerodi R, Arth K, Klatte-Asselmeyer V, Bressler S, Saukel J, Reznicek G, Dobeš C. Quality Control of Valerianae Radix by Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy. Planta Med. 2018 Apr;84(6-07):442-448. doi: 10.1055/s-0043-122239. Epub 2017 Nov 9. PMID: 29121679. 2: Anderson GD, Elmer GW, Taibi DM, Vitiello MV, Kantor E, Kalhorn TF, Howald WN, Barsness S, Landis CA. Pharmacokinetics of valerenic acid after single and multiple doses of valerian in older women. Phytother Res. 2010 Oct;24(10):1442-6. doi: 10.1002/ptr.3151. PMID: 20878691. 3: Nell M, Wawrosch C, Steinkellner S, Vierheilig H, Kopp B, Lössl A, Franz C, Novak J, Zitterl-Eglseer K. Root colonization by symbiotic arbuscular mycorrhizal fungi increases sesquiterpenic acid concentrations in Valeriana officinalis L. Planta Med. 2010 Mar;76(4):393-8. doi: 10.1055/s-0029-1186180. Epub 2009 Oct 6. PMID: 19809971. 4: Neuhaus W, Trauner G, Gruber D, Oelzant S, Klepal W, Kopp B, Noe CR. Transport of a GABAA receptor modulator and its derivatives from Valeriana officinalis L. s. l. across an in vitro cell culture model of the blood-brain barrier. Planta Med. 2008 Sep;74(11):1338-44. doi: 10.1055/s-2008-1081343. Epub 2008 Aug 14. PMID: 18704879. 5: Trauner G, Khom S, Baburin I, Benedek B, Hering S, Kopp B. Modulation of GABAA receptors by valerian extracts is related to the content of valerenic acid. Planta Med. 2008 Jan;74(1):19-24. doi: 10.1055/s-2007-993761. Epub 2007 Dec 19. PMID: 18095218. 6: Simmen U, Saladin C, Kaufmann P, Poddar M, Wallimann C, Schaffner W. Preserved pharmacological activity of hepatocytes-treated extracts of valerian and St. John's wort. Planta Med. 2005 Jul;71(7):592-8. doi: 10.1055/s-2005-871262. Erratum in: Planta Med. 2005 Sep;71(9):890. PMID: 16041642. 7: Boyadzhiev L, Kancheva D, Gourdon C, Metcheva D. Extraction of valerenic acids from valerian (Valeriana officinalis L.) rhizomes. Pharmazie. 2004 Sep;59(9):727-8. PMID: 15497760. 8: Lefebvre T, Foster BC, Drouin CE, Krantis A, Livesey JF, Jordan SA. In vitro activity of commercial valerian root extracts against human cytochrome P450 3A4. J Pharm Pharm Sci. 2004 Aug 12;7(2):265-73. PMID: 15367385. 9: Bos R, Hendriks H, Scheffer JJ, Woerdenbag HJ. Cytotoxic potential of valerian constituents and valerian tinctures. Phytomedicine. 1998 May;5(3):219-25. doi: 10.1016/S0944-7113(98)80032-9. PMID: 23195845.

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