IUPAC/Chemical Name
(1R,3R,4R,4aS,8aS)-4-(2-(furan-3-yl)ethyl)-4-hydroxy-3,4a,8,8-tetramethyldecahydronaphthalen-1-yl acetate
InChi Key
QKHCQFQIJKXMOE-UGFIEOPBSA-N
InChi Code
InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1
SMILES Code
CC(O[C@@H]1C[C@@H](C)[C@](O)(CCC2=COC=C2)[C@@]3(C)CCCC(C)(C)[C@]13[H])=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
362.51
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: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK501807/ PubMed PMID: 30000866.
2: Li S, Qiu S, Yao P, Sun H, Fong HH, Zhang H. Compounds from the Fruits of the Popular European Medicinal Plant Vitex agnus-castus in Chemoprevention via NADP(H):Quinone Oxidoreductase Type 1 Induction. Evid Based Complement Alternat Med. 2013;2013:432829. doi: 10.1155/2013/432829. Epub 2013 Apr 3. PubMed PMID: 23662135; PubMed Central PMCID: PMC3638617.
3: Hu Y, Hou TT, Zhang QY, Xin HL, Zheng HC, Rahman K, Qin LP. Evaluation of the estrogenic activity of the constituents in the fruits of Vitex rotundifolia L. for the potential treatment of premenstrual syndrome. J Pharm Pharmacol. 2007 Sep;59(9):1307-12. PubMed PMID: 17883902.
4: Hajdú Z, Hohmann J, Forgo P, Martinek T, Dervarics M, Zupkó I, Falkay G, Cossuta D, Máthé I. Diterpenoids and flavonoids from the fruits of Vitex agnus-castus and antioxidant activity of the fruit extracts and their constituents. Phytother Res. 2007 Apr;21(4):391-4. PubMed PMID: 17262892.
5: Li WX, Cui CB, Cai B, Yao XS. Labdane-type diterpenes as new cell cycle inhibitors and apoptosis inducers from Vitex trifolia L. J Asian Nat Prod Res. 2005 Apr;7(2):95-105. PubMed PMID: 15621610.
6: Ko WG, Kang TH, Lee SJ, Kim YC, Lee BH. Rotundifuran, a labdane type diterpene from Vitex rotundifolia, induces apoptosis in human myeloid leukaemia cells. Phytother Res. 2001 Sep;15(6):535-7. PubMed PMID: 11536386.
7: Ono M, Sawamura H, Ito Y, Mizuki K, Nohara T. Diterpenoids from the fruits of Vitex trifolia. Phytochemistry. 2000 Dec;55(8):873-7. PubMed PMID: 11140517.
8: Hoberg E, Meier B, Sticher O. Quantitative high performance liquid chromatographic analysis of diterpenoids in agni-casti fructus. Planta Med. 2000 May;66(4):352-5. PubMed PMID: 10865453.