ChemSpider 2D Image | (3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)-15-Hydroxy-3-(4-hydroxybenzyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-1-one | C28H37NO3

(3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)-15-Hydroxy-3-(4-hydroxybenzyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-1-one

  • Molecular FormulaC28H37NO3
  • Average mass435.598 Da
  • Monoisotopic mass435.277344 Da
  • ChemSpider ID78442088

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)-15-Hydroxy-3-(4-hydroxybenzyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-1-on [German] [ACD/IUPAC Name]
(3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)-15-Hydroxy-3-(4-hydroxybenzyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-1-one [ACD/IUPAC Name]
(3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)-15-Hydroxy-3-(4-hydroxybenzyl)-4,5,10,12-tétraméthyl-2,3,3a,4,6a,9,10,11,12,15-décahydro-1H-cycloundéca[d]isoindol-1-one [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindol-1-one, 2,3,3a,4,6a,9,10,11,12,15-decahydro-15-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,10,12-tetramethyl-, (3R,3aS,6aR,7E,10R,12R,13E,15S,15aR)- [ACD/Index Name]
phomopsichalasin F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4265.24
ACD/KOC (pH 5.5): 13800.75
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4253.82
ACD/KOC (pH 7.4): 13763.79
Polar Surface Area: 70 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

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