13-Epi-10-deacetyl baccatin III

cas: 172018-16-5 — see every product listed under this CAS number, including other names

13-Epi-10-deacetyl baccatin III (CAS 172018-16-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberXGA01816-5mg
cas172018-16-5
size5mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
Biosynth 5mg price on request
Biosynth 10mg price on request
Biosynth 25mg price on request
Biosynth 50mg price on request

properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 172018-16-5) is a chemical compound with the molecular formula C29H36O10 and a molecular weight of 544.6 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: YWLXLRUDGLRYDR-LHDQCKIRSA-N.

Identity
Molecular formulaC29H36O10
Molecular weight544.6 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyYWLXLRUDGLRYDR-LHDQCKIRSA-N
SMILESCC1=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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: 13-epi-10-DAB, 13-epi-10-Deacetyl Baccatin III, Docetaxel Impurity 48, Docetaxel Impurity 3, 13-Epi-10-deacetylbaccatin III, (-)-10-Deacetyl-13-epibaccatin III
Related forms of this compound
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
[(1S,2S,3R,4S,7R,9S,10S,12S,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
(4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate C29H36O10
Isomers (same molecular formula)
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23R,25S,29S)-12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone C29H36O10
12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone C29H36O10
(20Z,22E)-28-hydroxy-24-(1-hydroxyethyl)-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,22-triene-15,2'-oxirane]-4,19-dione C29H36O10

Also listed as

Docetaxel Impurity 3 Chemat Brand CAS 172018-16-5
Docetaxel Impurity 48 Chemat Brand CAS 172018-16-5
Docetaxel Impurity 20 Hubei YoungXin CAS 172018-16-5
13-epi-10-Deacetyl Baccatin III, >95% (HPLC) TRC CAS 172018-16-5