CAS 183133-94-0

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one

Description:

The chemical substance with the name "(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one" and CAS number "183133-94-0" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a dodecahydro framework, indicating a saturated cyclic structure with multiple fused rings. The presence of hydroxyl (-OH) groups suggests potential for hydrogen bonding, influencing its solubility and reactivity. The acetyloxy and benzoyloxy substituents indicate that the compound may exhibit diverse chemical behavior, including potential reactivity in esterification or substitution reactions. The dimethoxy groups contribute to its electronic properties, possibly affecting its interaction with biological systems. Overall, this compound's structural complexity and functional diversity suggest potential applications in pharmaceuticals or as a synthetic intermediate in organic chemistry.

Formula: C₃₁H₄₀O₁₀

InChI: InChI=1S/C31H40O10/c1-16-19(33)14-31(36)26(40-27(35)18-11-9-8-10-12-18)24-29(5,25(34)23(38-7)22(16)28(31,3)4)20(37-6)13-21-30(24,15-39-21)41-17(2)32/h8-12,19-21,23-24,26,33,36H,13-15H2,1-7H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1

InChI key: InChIKey=MGJMLMORVVDLIU-VHLOTGQHSA-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@]3(C)[C@@H](OC)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]

Synonyms:

• (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
• 10-Deacetyl-7,10-dimethylbaccatin III
• 10-Deacetylbaccatin III 7,10-dimethyl ether
• 4α-Acetoxy-2α-benzoyloxy-5β,20-epoxy-1β,13α-dihydroxy-7β,10β-dimethoxy-9-oxo-11-taxene
• 7,10-Dimethoxy 10-DAB III
• 7,10-Dimethoxy-10-deacetylbaccatin III
• 7,10-MeO-10-DAB
• 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-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
• 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-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-
• 7β,10β-Dimethoxy-10-deacetylbaccatin III
• Dimethoxy intermediate CAB

CABAZITAXEL IMPURITY FP-A CRS

CAS: 183133-94-0

CABAZITAXEL IMPURITY FP-A CRS

Ref: 41-Y0002414

7,10-Dimethoxy-10-DAB III

CAS: 183133-94-0

Formula: C₃₁H₄₀O₁₀

Purity: 98%

Color and Shape: Solid

Molecular weight: 572.6433

Ref: IN-DA00I1EN

7,10-Dimethoxy-10-DAB III

CAS: 183133-94-0

7,10-Dimethoxy-10-DAB III

Purity: 98%

Molecular weight: 572.64g/mol

Ref: 54-OR1033681

Cabazitaxel Impurity 37

CAS: 183133-94-0

Formula: C₃₁H₄₀O₁₀

Color and Shape: White To Off-White Solid

Molecular weight: 572.65

Ref: 4Z-C-948

10-Deacetyl-7,10-dimethoxy-Baccatin III

Controlled Product

CAS: 183133-94-0

Stability Hygroscopic
Applications 10-Deacetyl-7,10-dimethoxy-Baccatin III is an intermediate used to prepare Cabazitaxel (C046500).
References Hsiao, T., et al.: PCT Int. Appl. (2013), WO 2013054204 A2 20130418.

Formula: C₃₁H₄₀O₁₀

Color and Shape: White

Molecular weight: 572.64

Ref: TR-D198890

Cabazitaxel Impurity A

CAS: 183133-94-0

Formula: C₃₁H₄₀O₁₀

Molecular weight: 572.7

Ref: ST-EA-CP-C45003