ChemSpider 2D Image | (1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)-3,6,9a-Trihydroxy-2,2,5a,8,10a-pentamethyl-10-oxotetradecahydro-1aH-indeno[5',6':3,4]cycloocta[1,2-b]oxiren-7-yl benzoate | C27H36O7

(1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)-3,6,9a-Trihydroxy-2,2,5a,8,10a-pentamethyl-10-oxotetradecahydro-1aH-indeno[5',6':3,4]cycloocta[1,2-b]oxiren-7-yl benzoate

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID29784793

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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(1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)-3,6,9a-Trihydroxy-2,2,5a,8,10a-pentamethyl-10-oxotetradecahydro-1aH-indeno[5',6':3,4]cycloocta[1,2-b]oxiren-7-yl benzoate [ACD/IUPAC Name]
(1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)-3,6,9a-Trihydroxy-2,2,5a,8,10a-pentamethyl-10-oxotetradecahydro-1aH-indeno[5',6':3,4]cycloocta[1,2-b]oxiren-7-yl-benzoat [German] [ACD/IUPAC Name]
10H-Indeno[5',6':3,4]cyclooct[1,2-b]oxiren-10-one, 7-(benzoyloxy)tetradecahydro-3,6,9a-trihydroxy-2,2,5a,8,10a-pentamethyl-, (1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)- [ACD/Index Name]
Benzoate de (1aS,3S,5aR,6R,6aS,7S,8S,9aR,10aR,10bS)-3,6,9a-trihydroxy-2,2,5a,8,10a-pentaméthyl-10-oxotétradécahydro-1aH-indéno[5',6':3,4]cycloocta[1,2-b]oxirén-7-yle [French] [ACD/IUPAC Name]
euphactin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 203.2±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.01
ACD/KOC (pH 5.5): 1274.79
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.01
ACD/KOC (pH 7.4): 1274.75
Polar Surface Area: 117 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

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