Chemical identity

13-O-(Triethylsilyl) Baccatin III

CAS 208406-86-4 · C37H52O11Si

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-04172
PubChem CID71752652
Name13-O-(Triethylsilyl) Baccatin III
CAS RN208406-86-4
Molecular formulaC37H52O11Si
Molecular weight700.89 g/mol
IUPAC name(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-9-[(triethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
InChIKeyNKNHZPLYHAABLP-UZBMNOCMSA-N

02Structure identifiers

2D structurePubChem CID 71752652
Two-dimensional chemical structure of 13-O-(Triethylsilyl) Baccatin III, CAS 208406-86-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC[Si](CC)(CC)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C5=CC=CC=C5)O
InChINot listed
Formula from structureC37H52O11Si
Molecular weight from structure700.89 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 208406-86-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 208406-86-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Paclitaxel

View API and impurity family

Other names

  • 13-O-(Triethylsilyl) Baccatin III
  • 208406-86-4
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • Paclitaxel Impurity 23
  • 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-9-[(triethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
  • 13-O-(Triethylsilyl)baccatin III
  • 13-Tes-baccatin III
  • DTXSID00858503
  • Paclitaxel Impurity 17(13-O-(Triethylsilyl) Baccatin III)
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-9-((triethylsilyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
  • (5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-1,7-dihydroxy-9-oxo-13-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate
  • 4,10beta-Bis(acetyloxy)-1,7beta-dihydroxy-9-oxo-13alpha-[(triethylsilyl)oxy]-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources