ChemSpider 2D Image | (1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17R,18R)-8,10-Dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.0~2,13~.0~4,12~.0~7,11~.0~14,19~]docosa-5,14(19)-dien-15-one | C24H32O5

(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17R,18R)-8,10-Dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-15-one

  • Molecular FormulaC24H32O5
  • Average mass400.508 Da
  • Monoisotopic mass400.224976 Da
  • ChemSpider ID26351935
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17R,18R)-8,10-Dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-15-on [German] [ACD/IUPAC Name]
(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17R,18R)-8,10-Dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-15-one [ACD/IUPAC Name]
(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17R,18R)-8,10-Dihydroxy-1,5,9,18-tétraméthyl-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dién-15-one [French] [ACD/IUPAC Name]
3,6-Ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-1-one, 4,6,6a,7,7a,9a,10,11,12,12a,12b,12c-dodecahydro-10,12-dihydroxy-4,6,8,11-tetramethyl-, (3R,4R,6R,6aR,7aR,9aR,10R,11R,12S,12aR,12bR,12cS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 201.5±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.49
ACD/KOC (pH 5.5): 526.54
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.49
ACD/KOC (pH 7.4): 526.54
Polar Surface Area: 76 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 306.6±5.0 cm3

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