13-acetyl-9-Dihydrobaccatin III

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MedKoo CAT#: 462142

CAS#: 142203-65-4

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.

Chemical Structure

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: 630.687
Elemental Analysis: C, 62.85; H, 6.71; O, 30.44

Price and Availability

Size Price Availability Quantity
1.0mg USD 245.0 2 Weeks
5.0mg USD 583.0 2 Weeks
10.0g USD 905.0 2 Weeks
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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 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

Preparing Stock Solutions

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.

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

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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).