IUPAC/Chemical Name
Butanoic acid, 3-hydroxy-2-methyl-, 3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (3S-(3alpha,4aalpha,5alpha,6beta,7beta(2S*,3R*),11beta,12abeta))-
InChi Key
FMPIEMVVEJGMCY-HZJFFZFBSA-N
InChi Code
InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18-,22?,23+,24+,26+,27+,28+,31+/m1/s1
SMILES Code
C[C@@H](O)[C@@H](C)C(O[C@H]1CC(C)=C2[C@@H](OC(C)=O)C[C@@](CCC(OC(C)=O)C3=C)(C)[C@]3([H])[C@H](OC(C)=O)[C@@]1([H])C2(C)C)=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
562.70
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: Bai XY, Lü JM, Zhou YY, Zhu ZR, Jiang RW, Zhang W. [Chemical constituents of Taxus chinensis var. mairei cell cultures]. Yao Xue Xue Bao. 2015 Jan;50(1):70-4. Chinese. PubMed PMID: 25924478.
2: Zhao CF, Yu LJ, Li LQ, Xiang F. Simultaneous identification and determination of major taxoids from extracts of Taxus chinensis cell cultures. Z Naturforsch C. 2007 Jan-Feb;62(1-2):1-10. PubMed PMID: 17425097.
3: Cao CM, Huo CH, Zhao YM, Si XT, Li ZP, Shi QW. [Studies on chemical constituents in heartwood of Taxus cuspidata]. Zhongguo Zhong Yao Za Zhi. 2006 Sep;31(18):1510-3. Chinese. PubMed PMID: 17144468.
4: Zhao CF, Yu LJ. [LC-ESI-MS metabolic profiling analysis of taxanes from the extracts of Taxus chinensis cell cultures]. Yao Xue Xue Bao. 2005 Aug;40(8):734-9. Chinese. PubMed PMID: 16268509.
5: Bai J, Kitabatake M, Toyoizumi K, Fu L, Zhang S, Dai J, Sakai J, Hirose K, Yamori T, Tomida A, Tsuruo T, Ando M. Production of biologically active taxoids by a callus culture of Taxus cuspidata. J Nat Prod. 2004 Jan;67(1):58-63. PubMed PMID: 14738387.
6: Agrawal S, Banerjee S, Chattopadhyay SK, Kulshrestha M, Madhusudanan KP, Mehta VK, Kumar S. Isolation of taxoids from cell suspension cultures of Taxus wallichiana. Planta Med. 2000 Dec;66(8):773-5. PubMed PMID: 11199143.
7: Ma W, Stahlhut RW, Adams TL, Park GL, Evans WA, Blumenthal SG, Gomez GA, Nieder MH, Hylands PJ. Yunnanxane and its homologous esters from cell cultures of Taxus chinensis var. mairei. J Nat Prod. 1994 Sep;57(9):1320-4. PubMed PMID: 7798969.
8: Chen WM, Zhang PL, Wu B, Zheng QT. [Studies on the chemical constituents of Taxus yunnanensis]. Yao Xue Xue Bao. 1991;26(10):747-54. Chinese. PubMed PMID: 1688071.