Baccatin III

  • CAT Number: R003450
  • CAS Number: 27548-93-2
  • Molecular Formula: C31H38O11
  • Molecular Weight: 586.63
  • Purity: ≥95%
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Baccatin III(Cat No.:R003450) is a natural compound found in the bark of the Pacific yew tree (Taxus brevifolia). It is a precursor in the semi-synthesis of paclitaxel, a chemotherapy medication used to treat various cancers. Baccatin III is converted into paclitaxel through a series of chemical reactions, making it a key intermediate in the production of this important anticancer drug. Baccatin III itself has been studied for its potential biological activities and may have anticancer properties. Research on baccatin III and its derivatives continues to explore its therapeutic potential and its role in the development of new cancer treatments.


Catalog Number R003450
CAS Number 27548-93-2
Synonyms

(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-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one; NSC 330753

Molecular Formula C31H38O11
Purity ≥95%
Storage -20°C
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChI InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
InChIKey OVMSOCFBDVBLFW-VHLOTGQHSA-N
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C

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