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13-Acetyl-9-dihydrobaccatin III - 98%, high purity , CAS No.142203-65-4

    Grade & Purity:
  • ≥98%
In stock
Item Number
A109793
Grouped product items
SKU Size
Availability
Price Qty
A109793-250mg
250mg
3
$540.90
A109793-1g
1g
1
$1,717.90

Basic Description

Synonyms 7,9-Dideacetyl baccatin VI | 4,10,13-Tris(acetyloxy)-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate | 7,11-Methano-1H-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacet
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms

9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxo

Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Diterpenoids
Intermediate Tree Nodes Not available
Direct Parent Taxanes and derivatives
Alternative Parents Tetracarboxylic acids and derivatives  Benzoic acid esters  Benzoyl derivatives  Tertiary alcohols  Secondary alcohols  Oxetanes  Cyclic alcohols and derivatives  Carboxylic acid esters  Polyols  Oxacyclic compounds  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Taxane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Oxetane - Polyol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.
External Descriptors Not available

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504762406
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762406
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
INCHI 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
InChIKey WPPPFZJNKLMYBW-FAEUQDRCSA-N
Smiles CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
Isomeric SMILES CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
PubChem CID 3083352
Molecular Weight 630.69

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
I1609054 Certificate of Analysis Apr 02, 2024 A109793
L2314074 Certificate of Analysis Jan 03, 2024 A109793
B2325318 Certificate of Analysis Sep 23, 2021 A109793

Chemical and Physical Properties

Molecular Weight 630.700 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 9
Exact Mass 630.268 Da
Monoisotopic Mass 630.268 Da
Topological Polar Surface Area 175.000 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1270.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

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