CAS: 133524-69-3 - Benzenepropanoic acid, β-amino-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

Formula: C₃₈H₄₅NO₁₂

InChI: InChI=1S/C38H45NO12/c1-19-23(49-34(46)29(43)27(39)21-12-8-6-9-13-21)17-38(47)32(50-33(45)22-14-10-7-11-15-22)30-36(5,31(44)28(42)26(19)35(38,3)4)24(41)16-25-37(30,18-48-25)51-20(2)40/h6-15,23-25,27-30,32,41-43,47H,16-18,39H2,1-5H3/t23-,24-,25+,27-,28+,29+,30-,32-,36+,37-,38+/m0/s1

InChI key: InChIKey=QCOGLDHTESFSPY-BFLUDPMCSA-N

SMILES: O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(O)C4=C(C)C(OC(=O)C(O)C(N)C=5C=CC=CC5)CC1(O)C4(C)C)C)C=6C=CC=CC6

Synonyms:

• Benzenepropanoic acid, β-amino-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• Benzenepropanoic acid, β-amino-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
• 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• 10-Desacetyl-N-debenzoylpaclitaxel
• 10-Deacetylbaccatin III 13-[β(S)-amino-α(R)-hydroxyphenylpropionate]

Docetaxel Impurity 11

CAS: 133524-69-3

• Formula: C₃₈H₄₅NO₁₂
• Color and Shape: White To Off-White Solid
• Molecular weight: 707.77

N-DesBoc Docetaxel

CAS: 133524-69-3

Applications N-DesBoc Docetaxel is an impurity in the synthesis of Docetaxel (D494420), a semisynthetic derivative …

• Formula: C₃₈H₄₅NO₁₂
• Color and Shape: Neat
• Molecular weight: 707.77

N-DesBoc Docetaxel-d5

CAS: 133524-69-3

• Formula: C₃₈D₅H₄₀NO₁₂
• Color and Shape: Neat
• Molecular weight: 712.794

N-Desboc docetaxel-d5

CAS: 133524-69-3

Docetaxel is a taxane with anti-cancer activity. It binds to the tubulin in the cytoskeleton …

• Formula: C₃₈H₄₅NO₁₂
• Purity: Min. 95%
• Molecular weight: 707.8 g/mol