CAS 71610-00-9: Cephalomannine

Description: Cephalomannine is a natural compound classified as a type of alkaloid, specifically derived from the plant species *Cephalotaxus*, commonly known as the plum yew. This compound is characterized by its complex molecular structure, which includes multiple rings and functional groups that contribute to its biological activity. Cephalomannine exhibits notable pharmacological properties, including potential anti-cancer and immunomodulatory effects, making it of interest in medicinal chemistry and pharmaceutical research. Its mechanism of action often involves interaction with cellular pathways, influencing cell proliferation and apoptosis. The compound is typically studied in the context of its therapeutic applications, particularly in oncology. Additionally, cephalomannine is soluble in organic solvents, which is relevant for its extraction and formulation in various applications. As with many natural products, the study of cephalomannine also includes investigations into its biosynthesis and the ecological roles it may play within its native plant species. Overall, cephalomannine represents a significant area of interest for researchers exploring natural compounds with potential health benefits.

Formula: C₄₅H₅₃NO₁₄

InChI: InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

InChI key: InChIKey=DBXFAPJCZABTDR-WBYYIXQISA-N

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

Synonyms:

• (2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methylbut-2-enoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
• (2alpha,5beta,7beta,10beta)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-[(2-methylbut-2-enoyl)amino]-3-phenylpropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
• (2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methylbut-2-enoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
• 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• Benzenepropanoic acid, alpha-hydroxy-beta-(((2E)-2-methyl-1-oxo-2-butenyl)amino)-, (2aR,4S,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-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-
• Benzenepropanoic acid, alpha-hydroxy-beta-((2-methyl-1-oxo-2-butenyl)amino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(aR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-
• Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-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*(E)],11α,12α,12aα,12bα]]-
• Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,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-4,11-dihydroxy-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, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,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-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• Nsc 318735
• Taxol B
• Cephalomannine

Paclitaxel Related Compound A (Cephalomannine)

CAS: 71610-00-9

Aromatic heterocyclic compounds with oxygen hetero-atom(s) only, nesoi

• Formula: C₄₅H₅₃NO₁₄
• Color and Shape: White Off-White Powder
• Molecular weight: 831.34661

Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,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-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

CAS: 71610-00-9

• Formula: C₃₇H₄₃NO₁₀
• Color and Shape: Solid
• Molecular weight: 661.7380

Cephalomannine

CAS: 71610-00-9

• Formula: C₄₅H₅₃NO₁₄
• Molecular weight: 831.90

Cephalomannine

CAS: 71610-00-9

• Purity: ≥98%
• Molecular weight: 831.9g/mol

Cephalomannine (Paclitaxel USP Related Compound A)

CAS: 71610-00-9

• Formula: C₄₅H₅₃NO₁₄
• Color and Shape: White To Off-White Solid
• Molecular weight: 831.91

Cephalomannine

CAS: 71610-00-9

• Molecular weight: 831.912

N-Debenzoyl-N-tigloylpaclitaxel (Cephalomannine)

CAS: 71610-00-9

• Formula: C₄₅H₅₃NO₁₄
• Color and Shape: Neat
• Molecular weight: 831.90

Cephalomannine

CAS: 71610-00-9

• Formula: C₄₅H₅₃NO₁₄
• Purity: 95%~99%
• Molecular weight: 831.912

Cephalomannine

CAS: 71610-00-9

Cephalomannine (Baccatin III) is a taxol derivative obtained from Taxus yunnanensis with antitumor activity.

• Formula: C₄₅H₅₃NO₁₄
• Purity: 98.77% - 99.75%
• Color and Shape: Solid
• Molecular weight: 831.9

Cephalomannine

CAS: 71610-00-9

• Formula: C₄₅H₅₃NO₁₄
• Color and Shape: White
• Molecular weight: 831.90

Cephalomannine

CAS: 71610-00-9

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• Formula: C₄₅H₅₃NO₁₄
• Purity: Min. 95%
• Molecular weight: 831.9 g/mol