Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, analytical standard, ≥99% Moligand™,Patrón analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 246 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Paclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells.
An antineoplastic and apoptosis inducing agent
| ALogP | 2.5 |
|---|
| Pubchem Sid | 528774526 |
|---|---|
| Sonrisas canónicas | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| IUPAC Name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChIKey | RCINICONZNJXQF-MZXODVADSA-N |
| INCHI | 1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 |
| Isómeros SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| WGK Alemania | 3 |
| RTECS | DA8340700 |
| Número ONU | 2811 |
| Grupo de embalaje | I |
| Peso molecular | 853.91 |
| Beilstein | 1420457 |
| Reaxy-Rn | 14655130 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14655130&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | 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 Alpha-acyloxy ketones Fatty acid esters Tertiary alcohols Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Oxacyclic compounds Dialkyl ethers Carboximidic acids Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Taxane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Oxetane - Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 | taxane diterpenoid - tetracyclic diterpenoid |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Sep 03, 2026 | P106868 | |
| Certificate of Analysis | May 19, 2026 | P106868 | |
| Certificate of Analysis | Mar 02, 2026 | P106868 | |
| Certificate of Analysis | May 09, 2025 | P106868 | |
| Certificate of Analysis | Oct 10, 2024 | P106868 | |
| Certificate of Analysis | May 21, 2024 | P106868 |
| Rotación específica [α] | -49 ° (C=1, MeOH) |
|---|---|
| Punto de fusión (°C) | 213-216°C |
| Peso molecular | 853.900 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 14 |
| Exact Mass | 853.331 Da |
| Monoisotopic Mass | 853.331 Da |
| Topological Polar Surface Area | 221.000 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1790.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| 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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