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MedKoo Cat#: 462142 | Name: 13-acetyl-9-Dihydrobaccatin III
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Description:

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

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.

Chemical Structure

13-acetyl-9-Dihydrobaccatin III
13-acetyl-9-Dihydrobaccatin III
CAS#142203-65-4

Theoretical Analysis

MedKoo Cat#: 462142

Name: 13-acetyl-9-Dihydrobaccatin III

CAS#: 142203-65-4

Chemical Formula: C33H42O12

Exact Mass: 630.2676

Molecular Weight: 630.69

Elemental Analysis: C, 62.85; H, 6.71; O, 30.44

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 weeks
25mg USD 650.00 2 weeks
50mg USD 950.00 2 weeks
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 630.69 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.

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: 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).