Benzenepropanoic acid, β-(benzoylamino)-α-(benzoyloxy)-, (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)- structure
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Common Name | Benzenepropanoic acid, β-(benzoylamino)-α-(benzoyloxy)-, (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)- | ||
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| CAS Number | 158948-97-1 | Molecular Weight | 958.03 | |
| Density | 1.38±0.1 g/cm3(Predicted) | Boiling Point | 1015.8±65.0 °C(Predicted) | |
| Molecular Formula | C54H55NO15 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 568.1±34.3 °C | |
| Name | Benzenepropanoic acid, β-(benzoylamino)-α-(benzoyloxy)-, (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)- |
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| Synonym | More Synonyms |
| Density | 1.38±0.1 g/cm3(Predicted) |
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| Boiling Point | 1015.8±65.0 °C(Predicted) |
| Molecular Formula | C54H55NO15 |
| Molecular Weight | 958.03 |
| Flash Point | 568.1±34.3 °C |
| Exact Mass | 957.357178 |
| LogP | 10.09 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.642 |
| InChIKey | QOCMQSDZZSUFJR-PUFPEYIYSA-N |
| SMILES | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)c3ccccc3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
| (1S,2R)-1-(Benzoylamino)-3-{[(2α,5β,7β,10β,13α)-4,10-diacetoxy-2-(benzoyloxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl]oxy}-3-oxo-1-phenyl-2-propanyl benzoate |
| Benzenepropanoic acid, β-(benzoylamino)-α-(benzoyloxy)-, (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)- |