Found 157 results

Search term: MF = 'C_{32}H_{41}NO_{4}'
ChemSpider 2D Image | (3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR,13aR)-3-Hydroxy-3-(4-hydroxybenzyl)-4,5,6a,7,8a,10-hexamethyl-3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-1H-benzo[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione | C32H41NO4

(3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR,13aR)-3-Hydroxy-3-(4-hydroxybenzyl)-4,5,6a,7,8a,10-hexamethyl-3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-1H-benzo[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione

  • Molecular FormulaC32H41NO4
  • Average mass503.672 Da
  • Monoisotopic mass503.303558 Da
  • ChemSpider ID17264319

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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(3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR,13aR)-3-Hydroxy-3-(4-hydroxybenzyl)-4,5,6a,7,8a,10-hexamethyl-3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-1H-benzo[4,5]indeno[2,1-d]isoindol-1,13(2H)-dion [German] [ACD/IUPAC Name]
(3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR,13aR)-3-Hydroxy-3-(4-hydroxybenzyl)-4,5,6a,7,8a,10-hexamethyl-3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-1H-benzo[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione [ACD/IUPAC Name]
(3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR,13aR)-3-Hydroxy-3-(4-hydroxybenzyl)-4,5,6a,7,8a,10-hexaméthyl-3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodécahydro-1H-benzo[4,5]indéno[2,1-d]isoindole-1,13(2H)-dione [French] [ACD/IUPAC Name]
1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione, 3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-, (3R,3aR,4R,6aS,6bR,8aS,10S,12aR,12bR ,13aR)- [ACD/Index Name]
diaporthichalasin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13906.95
ACD/KOC (pH 5.5): 32159.51
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13873.06
ACD/KOC (pH 7.4): 32081.15
Polar Surface Area: 87 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

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