CAS 153212-75-0

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-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)-

Description:

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, with the CAS number 153212-75-0, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl, acetyloxy, and benzoyloxy moieties. This compound features a dodecahydro structure, indicating a saturated cyclic framework, and is notable for its stereochemistry, with specific configurations at several chiral centers. The presence of both acetyloxy and benzoyloxy groups suggests potential reactivity and solubility in organic solvents, while the hydroxyl groups may impart hydrogen-bonding capabilities, influencing its physical properties and biological activity. The compound's structural complexity may contribute to its potential applications in pharmaceuticals or as a biochemical probe, although specific biological activities would require further investigation. Overall, the unique arrangement of atoms and functional groups in this compound makes it a subject of interest in organic chemistry and medicinal chemistry research.

Formula: C₄₇H₅₁NO₁₅

InChI: InChI=1/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36?,37-,39+,40-,45-,46+,47+/m0/s1

InChI key: InChIKey=NDCWHEDPSFRTDA-FJMWQILYSA-N

SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)[C@H](O)[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O)=O)C5)[H]

Synonyms:

• (2alpha,3xi,5beta,6alpha,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,6,7-trihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
• 6-Alpha-Hydroxy Paclitaxel
• 6-Hydroxylpaclitaxel
• 6a-Hydroxy Paclitaxel
• 6a-Hydroxy Taxo
• 6a-Hydroxy Taxol
• 6α-Hydroxypaclitaxel
• 6α-Hydroxytaxol
• 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-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-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-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,3α,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
• 6-Hydroxypaclitaxel
• C086219
• 6α-Hydroxy Paclitaxel (>90%)
• 6alpha-Hydroxytaxol

6α-hydroxy Paclitaxel

CAS: 153212-75-0

Formula: C₄₇H₅₁NO₁₅

Purity: 97%

Color and Shape: Solid

Molecular weight: 869.9055

Ref: IN-DA007Y87

6α-hydroxy Paclitaxel

CAS: 153212-75-0

6α-hydroxy Paclitaxel (6α-OH-PTX) is a major metabolite of the anticancer compound paclitaxel and is partially cytotoxic.

Formula: C₄₇H₅₁NO₁₅

Purity: 99.33%

Color and Shape: Solid

Molecular weight: 869.91

Ref: TM-T36896

6α-hydroxy Paclitaxel

CAS: 153212-75-0

6α-hydroxy Paclitaxel

Purity: ≥98%

Molecular weight: 869.91g/mol

Ref: 54-BUP22156

6-α-Hydroxy Paclitaxel

CAS: 153212-75-0

Formula: C₄₇H₅₁NO₁₅

Color and Shape: White To Off-White Solid

Molecular weight: 869.92

Ref: 4Z-P-281

6-α-Hydroxy Paclitaxel (~90%)

CAS: 153212-75-0

Applications The major human metabolite of Paclitaxel.
References Walle, T., et al.: Biochem. Pharm., 46, 1661 (1993), Kumar, G., et al.: Drug Metab. Dispos., 22, 177 (1994),

Formula: C₄₇H₅₁NO₁₅

Purity: ~90%

Color and Shape: Neat

Molecular weight: 869.91

Ref: TR-H948890

6a-Hydroxy paclitaxel

CAS: 153212-75-0

Major metabolite of chemotherapeutic agent paclitaxel

Formula: C₄₇H₅₁NO₁₅

Purity: 90%Min

Color and Shape: Powder

Molecular weight: 869.91 g/mol

Ref: 3D-FH24082

6-α-Hydroxy Paclitaxel

CAS: 153212-75-0

Formula: C₄₇H₅₁NO₁₅

Molecular weight: 869.92

Ref: ST-EA-CP-P36190