Primary Record
Cephalomannine
- In stock
- 4,070 g
- Purity
- 98.2 %
- CAS
- 71610-00-9
Compound Identifiers & Properties
- CAS
- 71610-00-9
- PubChem CID
- 5458685
- SMILES
- C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)OC2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
- Canonical SMILES
- C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
Names & Synonyms
- Cephalomannine
- Taxol B
- NSC318735
- SCHEMBL14071996
- C45H53NO14
- C45-H53-N-O14
- CID5458685
- NSC 318735
- NSC-318735
- 71610-00-9
- [(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- [diacetoxy-dihydroxy-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenyl-propanoyl]oxy-tetramethyl-oxo-[?]yl] benzoate
- Benzenepropanoic acid, .alpha.-hydroxy-.beta.-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (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, (.alpha.R,.beta.S)-