ChemSpider 2D Image | YW3548 | C34H54O7

YW3548

  • Molecular FormulaC34H54O7
  • Average mass574.788 Da
  • Monoisotopic mass574.386963 Da
  • ChemSpider ID8091801

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-Dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylen-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2-c ]pyran-10-yl-3-hydroxy-3,5-dimethylheptanoat [German] [ACD/IUPAC Name]
(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-Dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2- c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate [ACD/IUPAC Name]
3-Hydroxy-3,5-diméthylheptanoate de (1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-dihydroxy-11-isopropyl-4,7,8a-triméthyl-13-méthylène-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadéca hydroindéno[5',6':4,5]cycloocta[1,2-c]pyran-10-yle [French] [ACD/IUPAC Name]
Heptanoic acid, 3-hydroxy-3,5-dimethyl-, (1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydro-1,13a-dihydroxy-4,7,8a-trimethyl-13-methylene-11-(1-me thylethyl)-2-oxoindeno[5',6':4,5]cycloocta[1,2-c]pyran-10-yl ester [ACD/Index Name]
YW3548
(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2-
(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2-c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate
c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate
YW 3548
YW-3548

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

Density: 1.1±0.1 g/cm3
Boiling Point: 664.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 200.2±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29619.23
ACD/KOC (pH 5.5): 55250.57
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29618.32
ACD/KOC (pH 7.4): 55248.87
Polar Surface Area: 113 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 501.5±5.0 cm3

Click to predict properties on the Chemicalize site


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