Cas no 78479-12-6 ((2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate)

(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate structure
78479-12-6 structure
Product Name:(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
CAS No:78479-12-6
MF:C43H51NO13
MW:789.863953828812
CID:4668322
PubChem ID:14758690
Update Time:2024-10-27

(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate Chemical and Physical Properties

Names and Identifiers

    • [ "" ]
    • [4-Acetyloxy-1,9,12-trihydroxy-15-[2-hydroxy-3-(2-methylbut-2-enoylamino)-3-phenylpropanoyl]oxy-10,1
    • (2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]a
    • SMR000578099
    • MLS001097710
    • 7-epi-10-Deacetylcephalomannine
    • 10-Deacetylcephalomannine
    • [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    • AKOS040762785
    • 78479-12-6
    • 7-epi-10-Deacetyl CephaloMannine
    • CHEMBL503720
    • (2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
    • Inchi： 1S/C43H51NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31-34,36,46-48,53H,19-21H2,1-7H3,(H,44,50)
    • InChI Key： ADDGUHVEJPNWQZ-UHFFFAOYSA-N
    • SMILES： O1CC2(C1CC(C1(C)C(C(C3=C(C)C(CC(C3(C)C)(C(C21)OC(C1C=CC=CC=1)=O)O)OC(C(C(C1C=CC=CC=1)NC(C(=CC)C)=O)O)=O)O)=O)O)OC(C)=O

Computed Properties

  • Exact Mass: 789.33604068g/mol
  • Monoisotopic Mass: 789.33604068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 12
  • Complexity: 1680
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 215

Experimental Properties

  • Color/Form: Powder
  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 930.8±65.0 °C at 760 mmHg
  • Flash Point: 516.7±34.3 °C
  • Solubility: Insuluble (6.0E-4 g/L) (25 oC),
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate Security Information

(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate Pricemore >>

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(2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate Related Literature

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78479-12-6 ((2α,5β,7α,10β,13α)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate) Related Products

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