IUPAC/Chemical Name
Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-1,11,12-trihydroxy-15-((3-methyl-1-oxy-2-butenyl)oxy)-16-oxo-, methyl ester, (1beta,11beta,12alpha,15beta)-
InChi Key
IZUDZNKPPXKFJY-LTBZSOOCSA-N
InChi Code
InChI=1S/C32H44O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h6-7,13-16,18-26,28,33,35-40H,8-10H2,1-5H3/t13-,14+,15+,16+,18+,19-,20+,21+,22+,23+,24+,25+,26-,28+,30-,31+,32+/m0/s1
SMILES Code
CC1=C[C@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H](C([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)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
>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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
684.69
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: Liu JQ, Wang CF, Li XY, Chen JC, Li Y, Qiu MH. One new pregnane glycoside from the seeds of cultivated Brucea javanica. Arch Pharm Res. 2011 Aug;34(8):1297-300. doi: 10.1007/s12272-011-0809-5. Epub 2011 Sep 11. PubMed PMID: 21910051.
2: Yan XH, Chen J, Di YT, Fang X, Dong JH, Sang P, Wang YH, He HP, Zhang ZK, Hao XJ. Anti-tobacco mosaic virus (TMV) Quassinoids from Brucea javanica (L.) Merr. J Agric Food Chem. 2010 Feb 10;58(3):1572-7. doi: 10.1021/jf903434h. PubMed PMID: 20050684.
3: Kim IH, Takashima S, Hitotsuyanagi Y, Hasuda T, Takeya K. New quassinoids, javanicolides C and D and javanicosides B--F, from seeds of Brucea javanica. J Nat Prod. 2004 May;67(5):863-8. PubMed PMID: 15165151.
