ChemSpider 2D Image | (1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)-4a,7,8-Trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-4(1H)-one | C20H30O5

(1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)-4a,7,8-Trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-4(1H)-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID28420754

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)-4a,7,8-Trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-4(1H)-one [ACD/IUPAC Name]
Spiro[9H-cyclopenta[a]cyclopropa[f]cycloundecene-9,2'-oxiran]-4(1H)-one, 1a,4a,5,6,7,7a,8,10,11,11a-decahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-, (1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)- [ACD/Index Name]
(1aR,4aR,6S,7S,7aR,8S,9R,11aS,E)-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-4(1H)-one
[28649-60-7] [RN]
28649-60-7 [RN]
Epoxylathyrol
MFCD22124995

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 190.9±23.6 °C
Index of Refraction: 1.586
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.74
ACD/KOC (pH 5.5): 345.99
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.74
ACD/KOC (pH 7.4): 345.98
Polar Surface Area: 90 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 275.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement