Primary Record
Taxotere
- In stock
- 4,626 g
- Purity
- 99.8 %
- CAS
- 114977-29-6
Compound Identifiers & Properties
- CAS
- 114977-29-6
- PubChem CID
- 11274382
- 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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
- Canonical SMILES
- CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Names & Synonyms
- Taxotere
- ZDZOTLJHXYCWBA-GXCNZREGSA-
- CHEMBL405459
- ZINC95543494
- CID11274382
- J2.186.339D
- (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2S,3R)-3-{[(tert-butoxy)carbonyl]amino}-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
- (2S,3R)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid 1,7beta,10beta-trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
- 114977-29-6
- InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,5