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MedKoo Cat#: 558286 | Name: Valeranone

Description:

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

Valeranone is a biochemical.

Chemical Structure

Valeranone
Valeranone
CAS#55528-90-0

Theoretical Analysis

MedKoo Cat#: 558286

Name: Valeranone

CAS#: 55528-90-0

Chemical Formula: C15H26O

Exact Mass: 222.1984

Molecular Weight: 222.37

Elemental Analysis: C, 81.02; H, 11.79; O, 7.19

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.
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Related CAS #
No Data
Synonym
Valeranone; Yatamanson
IUPAC/Chemical Name
(4aalpha,7beta,8aalpha)-Octahydro-4a,8a-dimethyl-7-(1-methylethyl)-1(2H)-naphthalenone
InChi Key
HDVXJTYHXDVWQO-CFVMTHIKSA-N
InChi Code
InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15-/m0/s1
SMILES Code
C1(CCC[C@@]2(CC[C@@H](C[C@@]12C)C(C)C)C)=O
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 222.37 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: De J, Lu Y, Ling L, Peng N, Zhong Y. Essential Oil Composition and Bioactivities of Waldheimia glabra (Asteraceae) from Qinghai-Tibet Plateau. Molecules. 2017 Mar 13;22(3). pii: E460. doi: 10.3390/molecules22030460. PubMed PMID: 28335395. 2: Glaser J, Schultheis M, Moll H, Hazra B, Holzgrabe U. Antileishmanial and cytotoxic compounds from Valeriana wallichii and identification of a novel nepetolactone derivative. Molecules. 2015 Apr 1;20(4):5740-53. doi: 10.3390/molecules20045740. PubMed PMID: 25834987. 3: Flamini G, Cioni PL, Maccioni S, Baldini R. Essential oil composition and in vivo volatiles emission by different parts of Coleostephus myconis capitula. Nat Prod Commun. 2010 Aug;5(8):1321-4. PubMed PMID: 20839645. 4: Mathela CS, Padalia RC, Chanotiya CS. Kanokonyl acetate-rich Indian valerian from northwestern Himalaya. Nat Prod Commun. 2009 Sep;4(9):1253-6. PubMed PMID: 19831039. 5: Qi HY, Wei XN, Shi YP. Sesquiterpenoids from Valeriana tangutica. J Asian Nat Prod Res. 2009;11(1):33-7. doi: 10.1080/10286020802435778. PubMed PMID: 19177234. 6: Tanaka K, Komatsu K. Comparative study on volatile components of Nardostachys rhizome. J Nat Med. 2008 Jan;62(1):112-6. doi: 10.1007/s11418-007-0199-7. Epub 2007 Oct 6. PubMed PMID: 18404355. 7: Mathela CS, Chanotiya CS, Sammal SS, Pant AK, Pandey S. Compositional diversity of terpenoids in the Himalayan Valeriana genera. Chem Biodivers. 2005 Sep;2(9):1174-82. PubMed PMID: 17193199. 8: Torres-Valencia JM, Meléndez-Rodríguez M, Alvarez-García R, Cerda-García-Rojas CM, Joseph-Nathan P. DFT and NMR parameterized conformation of valeranone. Magn Reson Chem. 2004 Oct;42(10):898-902. PubMed PMID: 15366065. 9: Letchamo W, Ward W, Heard B, Heard D. Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation. J Agric Food Chem. 2004 Jun 16;52(12):3915-9. PubMed PMID: 15186117. 10: Hazelhoff B, Malingré TM, Meijer DK. Antispasmodic effects of valeriana compounds: an in-vivo and in-vitro study on the guinea-pig ileum. Arch Int Pharmacodyn Ther. 1982 Jun;257(2):274-87. PubMed PMID: 7114974. 11: Rücker G, Tautges J, Sieck A, Wenzl H, Graf E. [Isolation and pharmacodynamic activity of the sesquiterpene valeranone from Nardostachys jatamansi DC]. Arzneimittelforschung. 1978;28(1):7-13. German. PubMed PMID: 580202. 12: Gupta PD, Virmani V. Clinical trial of jatamansone (syn: Valeranone) in hyperkinetic behaviour disorders. Neurol India. 1968 Oct-Dec;16(4):168-73. PubMed PMID: 4886500. 13: Hikino H, Takeshita Y, Hikino Y, Takemoto T. [Conformation of valeranone and derivatives]. Yakugaku Zasshi. 1967 Sep;87(9):1035-9. Japanese. PubMed PMID: 5627422. 14: Wenkert E, Berges DA. The stereospecific introduction of a vicinally functionalized angular methyl group. A synthesis of l-valeranone. J Am Chem Soc. 1967 May 10;89(10):2507-9. PubMed PMID: 6042758. 15: Hikino H, Hikino Y, Takeshita Y, Meguro K, Takemoto T. Structure and absolute configuration of valeranone. Chem Pharm Bull (Tokyo). 1965 Dec;13(12):1408-16. PubMed PMID: 5866238. 16: Hikino H, Takeshita Y, Hikino Y, Takemoto T. Conformation of valeranone and derivatives. Chem Pharm Bull (Tokyo). 1965 May;13(5):626-8. PubMed PMID: 5867724. 17: HIKINO H, HIKINO Y, TAKESHITA Y, MEGURO K, TAKEMOTO T. STRUCTURE OF VALERANONE. Chem Pharm Bull (Tokyo). 1963 Sep;11:1207-10. PubMed PMID: 14068747.

View History

A-424274

A-424274

JC 40

JC 40

L 658758

L 658758