Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | (3aR,5E,7S,10E,14E,16aS)-2-[(4-Methoxybenzyl)oxy]-6,10,14,16a-tetramethyl-1-oxo-3-[(2R,3E)-3-penten-2-yl]-1,3a,4,7,8,9,12,13,16,16a-decahydrocyclopenta[15]annulen-7-yl acetate | C37H50O5

(3aR,5E,7S,10E,14E,16aS)-2-[(4-Methoxybenzyl)oxy]-6,10,14,16a-tetramethyl-1-oxo-3-[(2R,3E)-3-penten-2-yl]-1,3a,4,7,8,9,12,13,16,16a-decahydrocyclopenta[15]annulen-7-yl acetate

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID17343384

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5E,7S,10E,14E,16aS)-2-[(4-Methoxybenzyl)oxy]-6,10,14,16a-tetramethyl-1-oxo-3-[(2R,3E)-3-penten-2-yl]-1,3a,4,7,8,9,12,13,16,16a-decahydrocyclopenta[15]annulen-7-yl acetate [ACD/IUPAC Name]
(3aR,5E,7S,10E,14E,16aS)-2-[(4-Methoxybenzyl)oxy]-6,10,14,16a-tetramethyl-1-oxo-3-[(2R,3E)-3-penten-2-yl]-1,3a,4,7,8,9,12,13,16,16a-decahydrocyclopenta[15]annulen-7-yl-acetat [German] [ACD/IUPAC Name]
1(3aH)-Cyclopentacyclopentadecenone, 7-(acetyloxy)-4,7,8,9,12,13,16,16a-octahydro-2-[(4-methoxyphenyl)methoxy]-6,10,14,16a-tetramethyl-3-[(1R,2E)-1-methyl-2-buten-1-yl]-, (3aR,5E,7S,10E,14E,16aS)- [ACD/Index Name]
Acétate de (3aR,5E,7S,10E,14E,16aS)-2-[(4-méthoxybenzyl)oxy]-6,10,14,16a-tétraméthyl-1-oxo-3-[(2R,3E)-3-pentén-2-yl]-1,3a,4,7,8,9,12,13,16,16a-décahydrocyclopenta[15]annulén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 312.9±19.5 °C
Index of Refraction: 1.548
Molar Refractivity: 170.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.69
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3626369.75
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3626369.75
Polar Surface Area: 62 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 535.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement