Found 1 result

Search term: 78440004 (Found by CSID)
ChemSpider 2D Image | (1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-Hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-{(E)-2-[(2R,3R)-3-methyl-2-oxiranyl]vinyl}-9,21-dioxabicyclo[18.1.0]henicosa-2,11,15,17-tetraene-10,14-dione | C30H42O7

(1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-Hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-{(E)-2-[(2R,3R)-3-methyl-2-oxiranyl]vinyl}-9,21-dioxabicyclo[18.1.0]henicosa-2,11,15,17-tetraene-10,14-dione

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID78440004

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-Hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-{(E)-2-[(2R,3R)-3-methyl-2-oxiranyl]vinyl}-9,21-dioxabicyclo[18.1.0]henicosa-2,11,15,17-tetraen-10,14-dion [German] [ACD/IUPAC Name]
(1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-Hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-{(E)-2-[(2R,3R)-3-methyl-2-oxiranyl]vinyl}-9,21-dioxabicyclo[18.1.0]henicosa-2,11,15,17-tetraene-10,14-dione [ACD/IUPAC Name]
(1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-Hydroxy-4-méthoxy-1,7,11,13,15-pentaméthyl-8-{(E)-2-[(2R,3R)-3-méthyl-2-oxiranyl]vinyl}-9,21-dioxabicyclo[18.1.0]hénicosa-2,11,15,17-tétraène-10,14-dione [French] [ACD/IUPAC Name]
9,21-Dioxabicyclo[18.1.0]heneicosa-2,11,15,17-tetraene-10,14-dione, 6-hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-[(E)-2-[(2R,3R)-3-methyloxiranyl]ethenyl]-, (1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)- [ACD/Index Name]
Maltepolide E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 216.0±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.58
ACD/KOC (pH 5.5): 710.24
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.58
ACD/KOC (pH 7.4): 710.24
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

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