Cas no 145533-34-2 (14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED)

14β-Hydroxy 10-Deacetyl Baccatin III is a semi-synthetic taxane derivative derived from natural baccatin III, a key intermediate in the production of paclitaxel and related compounds. This compound is notable for its structural modifications at the C-10 and C-14 positions, which influence its reactivity and utility in taxane synthesis. Its discontinued status suggests it was primarily used in research or as a precursor in pharmaceutical development. The hydroxyl group at C-14 enhances its solubility and functionalization potential, making it valuable for exploratory studies in taxane chemistry. Its role in optimizing synthetic pathways for taxane-based therapeutics underscores its significance in medicinal chemistry research.
14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED structure
145533-34-2 structure
Product Name:14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED
CAS No:145533-34-2
MF:C29H36O11
MW:560.589550018311
CID:1064563
PubChem ID:5318183
Update Time:2025-07-15

14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED Chemical and Physical Properties

Names and Identifiers

    • 14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED
    • 14β-Hydroxy 10-Deacetyl Baccatin III
    • 14β-Hydroxydeacetylbaccatin III
    • A-Hydroxy-10-DAB
    • 4β-Hydroxy-10-DAB
    • 10-Deacetyl-14β-hydroxybaccatin III
    • 14β-Hydroxy-10-deacetylbaccatin III
    • 14β-Hydroxy-10-desacetylbaccatin III
    • 14β-Hydroxy 10-Deacetyl Baccatin III DISCONTINUED
    • (2aR,4S,4aS,6R,9R,10S,11R,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,10,11-pentahydroxy-4a,8,13,13-tetraMethyl-7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
    • DTXSID00415736
    • 145533-34-2
    • 14beta-Hydroxydeacetylbaccatin iii
    • (1R,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-(acetyloxy)-1,9,12,15,16-pentahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0,.0,heptadec-13-en-2-yl benzoate
    • 4
    • [(1R,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-Acetyloxy-1,9,12,15,16-pentahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    • SCHEMBL14484263
    • 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,10,11-pentahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9R,10S,11R,1
    • Inchi： 1S/C29H36O11/c1-13-18-20(33)22(34)27(5)16(31)11-17-28(12-38-17,40-14(2)30)21(27)24(39-25(36)15-9-7-6-8-10-15)29(37,26(18,3)4)23(35)19(13)32/h6-10,16-17,19-21,23-24,31-33,35,37H,11-12H2,1-5H3
    • InChI Key： FNZPZCTVRVPPAB-UHFFFAOYSA-N
    • SMILES： CC(OC12C3C(C4(C(C)(C)C(C(C(C3(C)C(O)CC1OC2)=O)O)=C(C)C(O)C4O)O)OC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 560.22600
  • Monoisotopic Mass: 560.22576196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 5
  • Complexity: 1130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.012
  • Topological Polar Surface Area: 180?2

Experimental Properties

  • PSA: 180.05000
  • LogP: 0.05260

14β-Hydroxy 10-Deacetyl Baccatin IIIDISCONTINUED Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM362165-10mg
[(1R,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-1,9,12,15,16-pentahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
 145533-34-2 95%+
10mg
 $828 2023-03-07

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