ChemSpider 2D Image | 9-[1-(3,4-Dimethyl-5-oxotetrahydro-2-furanyl)-1,2-dihydroxy-2-propanyl]-4,8-dihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one (no n-preferred name) | C28H40O8

9-[1-(3,4-Dimethyl-5-oxotetrahydro-2-furanyl)-1,2-dihydroxy-2-propanyl]-4,8-dihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one (no n-preferred name)

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID289842

More details:

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

9-[1-(3,4-Dimethyl-5-oxotetrahydro-2-furanyl)-1,2-dihydroxy-2-propanyl]-4,8-dihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-on (non -preferred name) [German] [ACD/IUPAC Name]
9-[1-(3,4-Dimethyl-5-oxotetrahydro-2-furanyl)-1,2-dihydroxy-2-propanyl]-4,8-dihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one (no n-preferred name) [ACD/IUPAC Name]
9-[1-(3,4-Diméthyl-5-oxotétrahydro-2-furanyl)-1,2-dihydroxy-2-propanyl]-4,8-dihydroxy-9a,11b-diméthyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodécahydrocyclopenta[1,2]phénanthro[8a,9-b]oxirén-1(4H)-one (no n-preferred name) [French] [ACD/IUPAC Name]
71801-45-1 [RN]
ixocarpalactone A

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

NSC301722 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.4±6.0 kJ/mol
Flash Point: 246.1±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.53
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.53
Polar Surface Area: 137 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 370.7±5.0 cm3

Click to predict properties on the Chemicalize site


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