WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462142
Description: 13-acetyl-9-Dihydrobaccatin III is a taxane originally isolated from T. canadensis.It inhibits proliferation of P388 leukemia cells with an IC50 value of 20 μg/ml.
MedKoo Cat#: 462142
Name: 13-acetyl-9-Dihydrobaccatin III
Chemical Formula: C33H42O12
Exact Mass: 630.2676
Molecular Weight: 630.687
Elemental Analysis: C, 62.85; H, 6.71; O, 30.44
Synonym: 13-acetyl-9-Dihydrobaccatin III
IUPAC/Chemical Name: (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol 6,9,12b-triacetate 12-benzoate
InChi Key: WPPPFZJNKLMYBW-FAEUQDRCSA-N
InChi Code: InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
SMILES Code: O[C@H]1C[C@@]([H])(OC2)[C@@]2([C@@]([H])([C@H](OC(C3=CC=CC=C3)=O)[C@@](C[C@@H](C(C)=C4[C@H]5OC(C)=O)OC(C)=O)(O)C4(C)C)[C@]1(C)[C@H]5O)OC(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: >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: 2934.99.9001
The following data is based on the product molecular weight 630.687 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: Gunawardana, G.P., Premachandran, U., Burres, N.S., et al. Isolation of 9-Dihydro-13-acetylbaccatin III from Taxus canadensi. J. Nat. Prod. 55(11), 1686-1689 (1992).