ChemSpider 2D Image | (6aS,7aR,11aR,11bS,13R,13aS)-6a-Hydroxy-1,1,11a-trimethyl-8-methylene-9-{(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azul eno[6,5-c]oxepin-13-yl acetate | C32H40O7

(6aS,7aR,11aR,11bS,13R,13aS)-6a-Hydroxy-1,1,11a-trimethyl-8-methylene-9-{(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azul eno[6,5-c]oxepin-13-yl acetate

  • Molecular FormulaC32H40O7
  • Average mass536.656 Da
  • Monoisotopic mass536.277405 Da
  • ChemSpider ID24665971

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6aS,7aR,11aR,11bS,13R,13aS)-6a-Hydroxy-1,1,11a-trimethyl-8-methylen-9-{(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azule no[6,5-c]oxepin-13-yl-acetat [German] [ACD/IUPAC Name]
(6aS,7aR,11aR,11bS,13R,13aS)-6a-Hydroxy-1,1,11a-trimethyl-8-methylene-9-{(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azul eno[6,5-c]oxepin-13-yl acetate [ACD/IUPAC Name]
Acétate de (6aS,7aR,11aR,11bS,13R,13aS)-6a-hydroxy-1,1,11a-triméthyl-8-méthylène-9-{(1R)-1-[(2R)-5-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodécahydroben zo[1,2]azuléno[6,5-c]oxépin-13-yle [French] [ACD/IUPAC Name]
Benz[1,2]azuleno[6,5-c]oxepin-3(1H)-one, 13-(acetyloxy)-9-[(1R)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-6a,7,7a,8,11,11a,11b,12,13,13a-decahydro-6a-hydroxy-1,1,11a-trimethyl-8-methylen e-, (6aS,7aR,11aR,11bS,13R,13aS)- [ACD/Index Name]
1011762-93-8 [RN]
Longipedlactone J
MFCD28100668

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 228.5±26.4 °C
Index of Refraction: 1.582
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1991.21
ACD/KOC (pH 5.5): 8000.27
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1991.21
ACD/KOC (pH 7.4): 8000.26
Polar Surface Area: 99 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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