ChemSpider 2D Image | 1-{[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-Hydroxy-4b,7,7,10a,12a-pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methyl}guanidine | C26H45N3O

1-{[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-Hydroxy-4b,7,7,10a,12a-pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methyl}guanidine

  • Molecular FormulaC26H45N3O
  • Average mass415.655 Da
  • Monoisotopic mass415.356262 Da
  • ChemSpider ID24660511
  • defined stereocentres - 8 of 8 defined stereocentres


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1-{[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-Hydroxy-4b,7,7,10a,12a-pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methyl}guanidine [ACD/IUPAC Name]
1-{[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-Hydroxy-4b,7,7,10a,12a-pentaméthyl-2-méthylèneoctadécahydro-1-chrysényl]méthyl}guanidine [French] [ACD/IUPAC Name]
1-{[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-Hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylenoctadecahydro-1-chrysenyl]methyl}guanidin [German] [ACD/IUPAC Name]
Guanidine, N-[[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-octadecahydro-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylene-1-chrysenyl]methyl]- [ACD/Index Name]
scytoscalarol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 509.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 262.1±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 163.65
ACD/KOC (pH 5.5): 361.34
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 164.16
ACD/KOC (pH 7.4): 362.47
Polar Surface Area: 82 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 348.6±7.0 cm3

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