ChemSpider 2D Image | (5aR,7Z,10aS,17aR,18R,19aR)-3,15,18-Trihydroxy-1,5a,9,9,12,17a-hexamethyl-5a,6,9,10,10a,17a,18,19,19a,20-decahydrocyclohepta[5',6']pyrano[2',3':5,6]cycloundeca[1,2-b]chromen-14(11H)-one | C32H40O6

(5aR,7Z,10aS,17aR,18R,19aR)-3,15,18-Trihydroxy-1,5a,9,9,12,17a-hexamethyl-5a,6,9,10,10a,17a,18,19,19a,20-decahydrocyclohepta[5',6']pyrano[2',3':5,6]cycloundeca[1,2-b]chromen-14(11H)-one

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID58139651

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5aR,7Z,10aS,17aR,18R,19aR)-3,15,18-Trihydroxy-1,5a,9,9,12,17a-hexamethyl-5a,6,9,10,10a,17a,18,19,19a,20-decahydrocyclohepta[5',6']pyrano[2',3':5,6]cycloundeca[1,2-b]chromen-14(11H)-on [German] [ACD/IUPAC Name]
(5aR,7Z,10aS,17aR,18R,19aR)-3,15,18-Trihydroxy-1,5a,9,9,12,17a-hexamethyl-5a,6,9,10,10a,17a,18,19,19a,20-decahydrocyclohepta[5',6']pyrano[2',3':5,6]cycloundeca[1,2-b]chromen-14(11H)-one [ACD/IUPAC Name]
(5aR,7Z,10aS,17aR,18R,19aR)-3,15,18-Trihydroxy-1,5a,9,9,12,17a-hexaméthyl-5a,6,9,10,10a,17a,18,19,19a,20-décahydrocyclohepta[5',6']pyrano[2',3':5,6]cycloundéca[1,2-b]chromén-14(11H)-one [French] [ACD/IUPAC Name]
Benzo[e]cyclohepta[e']cycloundeca[1,11-b:8,7-b']dipyran-14(11H)-one, 5a,6,9,10,10a,17a,18,19,19a,20-decahydro-3,15,18-trihydroxy-1,5a,9,9,12,17a-hexamethyl-, (5aR,7Z,10aS,17aR,18R,19aR)- [ACD/Index Name]
noreupenifeldin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 226.9±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8989.30
ACD/KOC (pH 5.5): 23527.55
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8501.09
ACD/KOC (pH 7.4): 22249.76
Polar Surface Area: 96 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

Click to predict properties on the Chemicalize site


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