ChemSpider 2D Image | SETOSUSIN | C29H38O8

SETOSUSIN

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID8705215

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1''S,2R,2'S,5a''R,7a''R,11a''R,11b''R)-4,5,5'',5'',7a'',9'',11b''-Heptamethyl-3,3'',5'-trioxo-1'',2'',3'',5a'',6'',7'',7a'',11'',11a'',11b''-decahydro-3H,5''H-dispiro[furan-2,4'-furan-2',8''-naphtho[ 2,1-c]oxepin]-1''-yl acetate [ACD/IUPAC Name]
182926-45-0 [RN]
Dispiro[furan-2(3H),4'(5'H)-furan-2'(3'H),8''(5''H)-naphth[2,1-c]oxepin]-3,3'',5'(2''H)-trione, 1''-(acetyloxy)-1'',5''a,6'',7'',7''a,11'',11''a,11''b-octahydro-4,5,5'',5'',7''a,9'',11''b-heptamethyl- , (1''S,2R,2'S,5a''R,7a''R,11a''R,11b''R)- [ACD/Index Name]
SETOSUSIN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 281.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 678.65
ACD/KOC (pH 5.5): 3702.49
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 678.65
ACD/KOC (pH 7.4): 3702.49
Polar Surface Area: 105 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

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