| CAS Number | 90332-63-1 |
| Catalog Number | AG00IG3O(AGN-PC-0VQEH2) |
| Chemical Name | 7-Xylosyl-10-deacetyltaxol |
| IUPAC Name | [(1S,2S,3S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChI | InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40-,42+,46+,48-,49+,50-/m1/s1 |
| InChI Key | ORKLEZFXASNLFJ-ODBGVJAMSA-N |
| MDL Number | MFCD09039072 |
| Molecular Formula | C50H57NO17 |
| Molecular Weight | 943.9841 |
| SMILES | C[C@]1(C([C@@H](C2=C(C)[C@@H](OC([C@H](O)[C@H](C3=CC=CC=C3)NC(C4=CC=CC=C4)=O)=O)C[C@]5(O)C2(C)C)O)=O)[C@@]([C@@H]5OC(C6=CC=CC=C6)=O)([H])[C@@]([C@@]7([H])C[C@@H]1O[C@@](OC[C@H]8O)([H])[C@@H]([C@H]8O)O)(CO7)OC(C)=O |
| Synonyms | 7-xylosyl-10-deacetyl-taxol,
7-xylosyl-10-deacetyltaxol,
7-XYLOSYL-10-DEACETYLTAXOL,
90332-63-1,
10-Deacetyl-7-xylosyl Paclitaxel,
7-xylosyl-10-deacetyl taxol,
7-xylosyl-10-deacetyl-taxol,
ORKLEZFXASNLFJ-ODBGVJAMSA-N,
C50H57NO17,
MFCD09039072,
ZINC169718360,
Q051,
332X631,
C-23586,
ACN-035260,
|