ChemSpider 2D Image | (3E,7E,9S,10S,11R,15E,17E,20R)-9,10-Dihydroxy-18-methyl-20-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-2-oxooxacycloicosa-3,7,15,17-tetraen-11-yl carbamate | C33H48N2O7

(3E,7E,9S,10S,11R,15E,17E,20R)-9,10-Dihydroxy-18-methyl-20-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-2-oxooxacycloicosa-3,7,15,17-tetraen-11-yl carbamate

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID28533889

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E,7E,9S,10S,11R,15E,17E,20R)-9,10-Dihydroxy-18-methyl-20-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-2-oxooxacycloicosa-3,7,15,17-tetraen-11-yl carbamate [ACD/IUPAC Name]
(3E,7E,9S,10S,11R,15E,17E,20R)-9,10-Dihydroxy-18-methyl-20-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-2-oxooxacycloicosa-3,7,15,17-tetraen-11-ylcarbamat [German] [ACD/IUPAC Name]
2-Butenamide, N-[(1E,3E,5R)-5-[(2R,4E,6E,11R,12S,13S,14E,18E)-11-[(aminocarbonyl)oxy]-12,13-dihydroxy-4-methyl-20-oxooxacycloeicosa-4,6,14,18-tetraen-2-yl]-3-methyl-1,3-hexadien-1-yl]-3-methyl- [ACD/Index Name]
Carbamate de (3E,7E,9S,10S,11R,15E,17E,20R)-9,10-dihydroxy-18-méthyl-20-{(2R,3E,5E)-4-méthyl-6-[(3-méthyl-2-butenoyl)amino]-3,5-hexadién-2-yl}-2-oxooxacycloicosa-3,7,15,17-tétraén-11-yle [French] [ACD/IUPAC Name]
palmerolide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 819.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.6±6.0 kJ/mol
Flash Point: 449.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 491.93
ACD/KOC (pH 5.5): 2940.83
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 491.93
ACD/KOC (pH 7.4): 2940.82
Polar Surface Area: 148 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 512.4±5.0 cm3

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