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10-Deacetyltaxol

Molecular FormulaC₄₅H₄₉NO₁₃
Average mass811.870 Da
Monoisotopic mass811.320374 Da
ChemSpider ID137262

- 11 of 11 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2α,5β,7β,10β,13α)-4-(acetyloxy)-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

(2α,5β,7β,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]

(2α,5β,7β,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]

10-DEACETYLPACLITAXEL

10-Deacetyltaxol

111149-94-1 [RN]

78432-77-6 [RN]

7-EPI-10-DEACETYL-TAXOL

Benzenepropanoic acid, β-(benzoylamino)-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,8,13,1 3-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- [ACD/Index Name]

benzenepropanoic acid, β-(benzoylamino)-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)-

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Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phénylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(ACETYLOXY)-1,9,12-TRIHYDROXY-15-{[(2R,3S)-2-HYDROXY-3-PHENYL-3-(PHENYLFORMAMIDO)PROPANOYL]OXY}-10,14,17,17-TETRAMETHYL-11-OXO-6-OXATETRACYCLO[11.3.1.0,–?.0?,?]HEPTADEC-13-EN-2-YL BENZOATE

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,9,12-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate

[78432-77-6] [RN]

10-Deacetyl-7-epitaxol

10-DESACETYL PACLITAXEL

10-Desacetylpaclitaxel

10-O-Deacetylpaclitaxel

Benzenepropanoic acid, β-(benzoylamino)-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))-

C[C@]1(C([C@@H]2O)=O)[C@@]([C@H](OC(C3=CC=CC=C3)=O)[C@@](C[C@@H]4OC([C@H](O)[C@@H](NC(C5=CC=CC=C5)=O)C6=CC=CC=C6)=O)(O)C(C)(C)C2=C4C)([H])[C@@]7(OC(C)=O)[C@](C[C@@H]1O)([H])OC7

Deacetyltaxol

DEACETYLTAXOL?10-DEACETYLTAXOL

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL302324/

MFCD01075780 [MDL number]

Taxoid analog

Taxol analogue

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

B77R96LJLK [DBID]

UNII:B77R96LJLK [DBID]

UNII-B77R96LJLK [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous
- Target Organs:
  
  Others TargetMol T2960
- Bio Activity:
  
  Others TargetMol T2960

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:	959.5±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	146.4±3.0 kJ/mol
Flash Point:	534.1±34.3 °C
Index of Refraction:	1.652
Molar Refractivity:	209.7±0.4 cm³
#H bond acceptors:	14
#H bond donors:	5
#Freely Rotating Bonds:	12
#Rule of 5 Violations:	4

ACD/LogP:	6.74
ACD/LogD (pH 5.5):	3.37
ACD/BCF (pH 5.5):	215.47
ACD/KOC (pH 5.5):	1628.72
ACD/LogD (pH 7.4):	3.37
ACD/BCF (pH 7.4):	215.44
ACD/KOC (pH 7.4):	1628.46
Polar Surface Area:	215 Å²
Polarizability:	83.1±0.5 10^-24cm³
Surface Tension:	71.6±5.0 dyne/cm
Molar Volume:	573.2±5.0 cm³

Click to predict properties on the Chemicalize site

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10-Deacetyltaxol

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