Found 1 result

Search term: 28288363 (Found by CSID)
ChemSpider 2D Image | (2R,3S,4aS,12bR)-8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl acetate | C27H32O8

(2R,3S,4aS,12bR)-8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl acetate

  • Molecular FormulaC27H32O8
  • Average mass484.538 Da
  • Monoisotopic mass484.209717 Da
  • ChemSpider ID28288363

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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(2R,3S,4aS,12bR)-8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl acetate [ACD/IUPAC Name]
(2R,3S,4aS,12bR)-8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl-acetat [German] [ACD/IUPAC Name]
2H-Benzo[d]naphtho[2,3-b]pyran-7,12-dione, 3-(acetyloxy)-1,3,4,4a,5,12b-hexahydro-8,10-dihydroxy-9-[1-(hydroxymethyl)-1-methyl-2-propen-1-yl]-2,5,5-trimethyl-, (2R,3S,4aS,12bR)- [ACD/Index Name]
Acétate de (2R,3S,4aS,12bR)-8,10-dihydroxy-9-(1-hydroxy-2-méthyl-3-butén-2-yl)-2,5,5-triméthyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromén-3-yle [French] [ACD/IUPAC Name]
jbir-69
JBIR-79

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.613
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2751.74
ACD/KOC (pH 5.5): 9537.82
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 129.43
ACD/KOC (pH 7.4): 448.60
Polar Surface Area: 130 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

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