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Catalog Number | ACM105454044-1 |
CAS Number | 105454-04-4 |
Synonyms | 7-Epitaxol |
IUPAC Name | [(1S,2S,3R,4S,7R,9R,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 |
Molecular Weight | 853.913 |
Molecular Formula | C47H51NO14 |
Canonical SMILES | CCC1=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 |
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 |
InChI Key | RCINICONZNJXQF-LYTKHFMESA-N |
Purity | 98%+(HPLC) |
Appearance | White powder |
Storage | Store at 4 °C, sealed, away from light (valid for 2 years under this condition). |
Complexity | 1790 |
Exact Mass | 853.33095530 |
Heavy Atom Count | 62 |
Isomeric 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 |
Monoisotopic Mass | 853.33095530 |
Topological Polar Surface Area | 221Ų |
What is the chemical formula for 7-epi-Taxol?
The chemical formula for 7-epi-Taxol is C47H51NO14.
What is the molecular weight of 7-epi-Taxol?
The molecular weight of 7-epi-Taxol is 853.91.
Is there any other name for 7-epi-Taxol?
Yes, 7-epi-Taxol is also known by its synonyms.
What type of compound is 7-epi-Taxol?
7-epi-Taxol is a complex organic compound.
How is 7-epi-Taxol used in pharmaceutical industry?
7-epi-Taxol is used as a chemotherapy drug in the pharmaceutical industry.
Can 7-epi-Taxol be synthesized in a laboratory?
Yes, 7-epi-Taxol can be synthesized in a laboratory.
What are the potential side effects of using 7-epi-Taxol?
Some potential side effects of using 7-epi-Taxol include nausea, hair loss, and decreased white blood cell count.
Is 7-epi-Taxol derived from a natural source?
Yes, 7-epi-Taxol is derived from the bark of the Pacific yew tree.
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