ChemSpider 2D Image | (3E,5E,7R,8S,9E,13E,15E,18S)-8-Hydroxy-3,5,7-trimethyl-18-[(2S)-5,7,9-trihydroxy-6,8-dimethyl-2-decanyl]oxacyclooctadeca-3,5,9,13,15-pentaen-2-one | C32H52O6

(3E,5E,7R,8S,9E,13E,15E,18S)-8-Hydroxy-3,5,7-trimethyl-18-[(2S)-5,7,9-trihydroxy-6,8-dimethyl-2-decanyl]oxacyclooctadeca-3,5,9,13,15-pentaen-2-one

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID8612517

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(3E,5E,7R,8S,9E,13E,15E,18S)-8-Hydroxy-3,5,7-trimethyl-18-[(2S)-5,7,9-trihydroxy-6,8-dimethyl-2-decanyl]oxacyclooctadeca-3,5,9,13,15-pentaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7R,8S,9E,13E,15E,18S)-8-Hydroxy-3,5,7-trimethyl-18-[(2S)-5,7,9-trihydroxy-6,8-dimethyl-2-decanyl]oxacyclooctadeca-3,5,9,13,15-pentaen-2-one [ACD/IUPAC Name]
(3E,5E,7R,8S,9E,13E,15E,18S)-8-Hydroxy-3,5,7-triméthyl-18-[(2S)-5,7,9-trihydroxy-6,8-diméthyl-2-décanyl]oxacyclooctadéca-3,5,9,13,15-pentaén-2-one [French] [ACD/IUPAC Name]
Oxacyclooctadeca-3,5,9,13,15-pentaen-2-one, 8-hydroxy-3,5,7-trimethyl-18-[(1S)-4,6,8-trihydroxy-1,5,7-trimethylnonyl]-, (3E,5E,7R,8S,9E,13E,15E,18S)- [ACD/Index Name]

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

FD-892 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 222.9±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2341.10
ACD/KOC (pH 5.5): 8983.12
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2341.10
ACD/KOC (pH 7.4): 8983.11
Polar Surface Area: 107 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 521.3±3.0 cm3

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