Found 6 results

Search term: MF = 'C_{26}H_{37}ClO_{10}'
ChemSpider 2D Image | (1S,3R,4aR,5R,8R,8aR)-8a-(Acetoxymethyl)-8-(chloromethyl)-8-hydroxy-4-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4-dimethyldecahydronaphthalene-1,5-diyl diacetate | C26H37ClO10

(1S,3R,4aR,5R,8R,8aR)-8a-(Acetoxymethyl)-8-(chloromethyl)-8-hydroxy-4-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4-dimethyldecahydronaphthalene-1,5-diyl diacetate

  • Molecular FormulaC26H37ClO10
  • Average mass545.019 Da
  • Monoisotopic mass544.207520 Da
  • ChemSpider ID28289066

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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(1S,3R,4aR,5R,8R,8aR)-8a-(Acetoxymethyl)-8-(chlormethyl)-8-hydroxy-4-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4-dimethyldecahydronaphthalin-1,5-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3R,4aR,5R,8R,8aR)-8a-(Acetoxymethyl)-8-(chloromethyl)-8-hydroxy-4-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4-dimethyldecahydronaphthalene-1,5-diyl diacetate [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(1S)-2-[(2R,4S,4aR,5R,8R,8aR)-4,8-bis(acetyloxy)-4a-[(acetyloxy)methyl]-5-(chloromethyl)decahydro-5-hydroxy-1,2-dimethyl-1-naphthalenyl]-1-hydroxyethyl]- [ACD/Index Name]
Diacétate de (1S,3R,4aR,5R,8R,8aR)-8a-(acétoxyméthyl)-8-(chlorométhyl)-8-hydroxy-4-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]-3,4-diméthyldécahydronaphtalène-1,5-diyle [French] [ACD/IUPAC Name]
(12S)-1b,6a,19-triacetoxy-18-chloro-4a,12-dihydroxyneo-clerod-13-en-15,16-olide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.60
ACD/KOC (pH 5.5): 501.88
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.60
ACD/KOC (pH 7.4): 501.87
Polar Surface Area: 146 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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