Chemical identity

7-epi-10-Oxo-10-deacetyl Baccatin III

CAS 151636-94-1 · C29H34O10

01Identity

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

Lazychem IDLC-13264
PubChem CID5316369
Name7-epi-10-Oxo-10-deacetyl Baccatin III
CAS RN151636-94-1
Molecular formulaC29H34O10
Molecular weight542.58 g/mol
IUPAC name(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
InChIKeyUEDMLPVUDFCAQM-IWVNULRZSA-N

02Structure identifiers

2D structurePubChem CID 5316369
Two-dimensional chemical structure of 7-epi-10-Oxo-10-deacetyl Baccatin III, CAS 151636-94-1
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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C2C(=O)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
InChINot listed
Formula from structureC29H34O10
Molecular weight from structure542.58 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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 151636-94-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 151636-94-1 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

Docetaxel; Baccatin Iii

View API and impurity family

Other names

  • Docetaxel Impurity 20 / 7-epi-10-Oxo-10-deacetyl Baccatin III
  • Docetaxel Impurity 20
  • 7-epi-10-Oxo-10-deacetyl Baccatin III
  • 10-Dehydrobaccatin V
  • 151636-94-1
  • [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 10-Deacetyl-10-oxobaccatin V
  • (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione
  • 10-Deacetyl-10-oxo-baccatin V
  • CHEMBL250045
  • SCHEMBL13426870
  • DTXSID10415702

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