Paclitaxel EP Impurity D

cas: 150547-36-7 — see every product listed under this CAS number, including other names

Paclitaxel EP Impurity D (CAS 150547-36-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-P812504
cas150547-36-7
sizeon request
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9R,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 (CAS 150547-36-7) is a chemical compound with the molecular formula C45H53NO14 and a molecular weight of 831.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9R,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. InChIKey: DBXFAPJCZABTDR-DBVZQHIHSA-N.

Identity
Molecular formulaC45H53NO14
Molecular weight831.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9R,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
InChIKeyDBXFAPJCZABTDR-DBVZQHIHSA-N
SMILESC/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[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

Computed by PubChem (NCBI)

Synonyms: 7-epi-Cephalomannine, 7-Epicephalomannine, Paclitaxel EP Impurity D, N-Debenzoyl-N-tigloyl-7-epi-paclitaxel (7-epi-Cephalomannine), orb3178051, PACLITAXEL IMPURITY D [EP IMPURITY]
Related forms of this compound
[(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 C45H53NO14
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,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] (E)-2-methylbut-2-enoate C45H53NO14
[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate C45H53NO14
[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-pent-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 C45H53NO14

Also listed as

7-Epi-cephalomannine Biosynth CAS 150547-36-7
N-Debenzoyl-N-tigloyl-7-epi-paclitaxel (7-epi-Cephalomannine) Mikromol CAS 150547-36-7
7-epi-Cephalomannine, >95% (HPLC) TRC CAS 150547-36-7
Paclitaxel EP Impurity D (7-epi-Cephalomannine) Chemat Brand CAS 150547-36-7
Paclitaxel Impurity 4（Paclitaxel EP Impurity D） Hubei YoungXin CAS 150547-36-7