7-EPI-10-DEACETYL-TAXOL (CAS 111149-94-1) — formula C45H49NO13, molecular weight 811.9; category organic chemicals.
| CAS Number | 111149-94-1 |
|---|---|
| Molecular Formula | C45H49NO13 |
| Molecular Weight | 811.9 |
| LogP | 1.9 |
| Category | Organic Chemicals |
7-EPI-10-DEACETYL-TAXOL is a carbon-based organic compound with CAS registry number 111149-94-1 and molecular formula C45H49NO13 (molecular weight 811.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111149-94-1
Its molecular formula C45H49NO13 comprises 45 C, 49 H, 1 N, 13 O atoms.
Also known as: 7-EPI-10-DEACETYL-TAXOL · 7-EPI-10-去乙酰紫杉醇
Category: organic chemicals
The CAS registry number of 7-EPI-10-DEACETYL-TAXOL is 111149-94-1.
Molecular formula C45H49NO13, molecular weight 811.9.
It is also registered under: 7-EPI-10-DEACETYL-TAXOL, 7-EPI-10-去乙酰紫杉醇.
Category: Organic Chemicals.
Independent reference data for 7-EPI-10-DEACETYL-TAXOL (CAS 111149-94-1), compiled from public chemistry databases.
| CAS Registry Number | 111149-94-1 |
|---|---|
| PubChem CID | 14355298 |
| Molecular formula | C45H49NO13 |
| IUPAC name | [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| UNII (FDA) | PF8TD9Q8G5 |
| Molecular Weight | 811.9 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 12 |
| Exact Mass | 811.32039062 |
| Monoisotopic Mass | 811.32039062 |
| Topological Polar Surface Area | 215 |
| Heavy Atom Count | 59 |
7-Epi-10-deacetyltaxol; DTXSID90559294; RefChem:546327; DTXCID60510074; 78454-17-8; 7-Epi 10-Desacetyl Paclitaxel; Paclitaxel EP Impurity H; 10-DEACETYL-7-EPIPACLITAXEL; 111149-94-1; PF8TD9Q8G5; 10-Deacetyl-7-epi-taxol; 10-O-Deacetyl-7-epi-paclitaxel; C45H49NO13; 7-EPI-10-DEACETYL-TAXOL; 10-Desacetyl-7-epipaclitaxel; 2'-epi-3'-epi-10-Deacetyltaxol
| Reported hazard statements | H301 (50%), H340 (50%), H351 (100%), H360 (50%), H361 (50%), H372 (50%) |
|---|
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H340 (50%): May cause genetic defects [Danger Germ cell mutagenicity]
7-EPI-10-DEACETYL-TAXOL · CAS 111149-94-1 · C45H49NO13. UNII PF8TD9Q8G5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-EPI-10-去乙酰紫杉醇