| SpectraBase Spectrum ID |
HBRxokTjVXK |
| Name |
Paclitaxel |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
10461 |
| Lot Number |
0460099-56 |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
33069-62-4 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H51NO14 |
| IUPAC Name |
βS-(Benzoylamino)-αR-hydroxy-benzenepropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester |
| InChI |
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 |
| InChIKey |
RCINICONZNJXQF-MZXODVADSA-N |
| Instrument Name |
Bio-Rad FTS
|
| Molecular Weight |
853.918 g/mol |
| SMILES |
O[C@]1(C[C@@]2([C@]([C@@]3([C@@]1(C([C@@](\C1=C\([C@@](OC([C@@]([C@](c4ccccc4)(NC(=O)c4ccccc4)[H])(O)[H])=O)(C[C@@]([C@]3(OC(c3ccccc3)=O)[H])(C1(C)C)O)[H])C)(OC(C)=O)[H])=O)C)[H])(CO2)OC(C)=O)[H])[H] |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
NSC 125973 |
| Technique |
KBr0 |
