ChemSpider 2D Image | (6aR,8E,11aS,18aR,19R,20aR)-4,16,19-trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3H-dicyclohepta[e,e']cycloundeca[1,11-b:5,4-b']dipyran-3,15(12H)-dione | C33H40O7

(6aR,8E,11aS,18aR,19R,20aR)-4,16,19-trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3H-dicyclohepta[e,e']cycloundeca[1,11-b:5,4-b']dipyran-3,15(12H)-dione

  • Molecular FormulaC33H40O7
  • Average mass548.667 Da
  • Monoisotopic mass548.277405 Da
  • ChemSpider ID8026212

  • 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

(6aR,8E,11aS,18aR,19R,20aR)-4,16,19-Trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3H-cyclohepta[b]cyclohepta[5',6']pyrano[3',2':5,6]cycloundeca[1,2-e]pyran-3,15(12H )-dion [German] [ACD/IUPAC Name]
(6aR,8E,11aS,18aR,19R,20aR)-4,16,19-Trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3H-cyclohepta[b]cyclohepta[5',6']pyrano[3',2':5,6]cycloundeca[1,2-e]pyran-3,15(12H )-dione [ACD/IUPAC Name]
(6aR,8E,11aS,18aR,19R,20aR)-4,16,19-Trihydroxy-1,6a,10,10,13,18a-hexaméthyl-6a,7,10,11,11a,18a,19,20,20a,21-décahydro-3H-cyclohepta[b]cyclohepta[5',6']pyrano[3',2':5,6]cycloundéca[1,2-e]pyrane-3,15(12 H)-dione [French] [ACD/IUPAC Name]
(6aR,8E,11aS,18aR,19R,20aR)-4,16,19-trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3H-dicyclohepta[e,e']cycloundeca[1,11-b:5,4-b']dipyran-3,15(12H)-dione
3H-Dicyclohepta[e,e']cycloundeca[1,11-b:5,4-b']dipyran-3,15(12H)-dione, 6a,7,10,11,11a,18a,19,20,20a,21-decahydro-4,16,19-trihydroxy-1,6a,10,10,13,18a-hexamethyl-, (6aR,8E,11aS,18aR,19R,20aR)- [ACD/Index Name]
eupenifeldin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 239.4±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 319.88
ACD/KOC (pH 5.5): 2160.28
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 288.66
ACD/KOC (pH 7.4): 1949.46
Polar Surface Area: 113 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 426.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement