ChemSpider 2D Image | (3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16,21-Heptamethyl-2-oxa-21-azaheptacyclo[23.2.2.1~3,10~.0~4,9~.0~12,16~.0~17,30~.0~19,23~]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione | C35H43NO4

(3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16,21-Heptamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.017,30.019,23]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione

  • Molecular FormulaC35H43NO4
  • Average mass541.720 Da
  • Monoisotopic mass541.319214 Da
  • ChemSpider ID30833450

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16,21-Heptamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.017,30.019,23]triaconta-1(27),11,14,25,28-pentaen-18,20,22-trion [German] [ACD/IUPAC Name]
(3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16,21-Heptamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.017,30.019,23]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione [ACD/IUPAC Name]
(3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16,21-Heptaméthyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.017,30.019,23]triaconta-1(27),11,14,25,28-pentaène-18,20,22-trione [French] [ACD/IUPAC Name]
14,17-Etheno-1H-cyclopenta[2',3']fluoreno[9',1':2,3,4]oxacyclododecino[6,7-c]pyrrole-1,3,4(2H,18H)-trione, 3a,4a,4b,7,8a,8b,9,10,11,12,12a,12b,12c,18a-tetradecahydro-2,4b,6,7,8,10,12-heptamethyl-, (3a R,4aS,4bR,7S,8aS,8bR,10S,12R,12aS,12bS,12cR,18aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 768764.31
ACD/KOC (pH 5.5): 568349.88
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 766388.56
ACD/KOC (pH 7.4): 566593.50
Polar Surface Area: 64 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 444.4±5.0 cm3

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