ChemSpider 2D Image | (1S,3S,5R,7R,9S,13R,14R,15S)-14-Hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.0~1,3~.0~7,11~.0~7,15~]hexadec-11-ene-6,10-dione | C20H26O4

(1S,3S,5R,7R,9S,13R,14R,15S)-14-Hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.01,3.07,11.07,15]hexadec-11-ene-6,10-dione

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID24639679

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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Natural Product Updates

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

(1S,3S,5R,7R,9S,13R,14R,15S)-14-Hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.01,3.07,11.07,15]hexadec-11-en-6,10-dion [German] [ACD/IUPAC Name]
(1S,3S,5R,7R,9S,13R,14R,15S)-14-Hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.01,3.07,11.07,15]hexadec-11-ene-6,10-dione [ACD/IUPAC Name]
(1S,3S,5R,7R,9S,13R,14R,15S)-14-Hydroxy-2,2,5,9,13-pentaméthyl-16-oxapentacyclo[11.2.1.01,3.07,11.07,15]hexadéc-11-ène-6,10-dione [French] [ACD/IUPAC Name]
1H-1a,3-Epoxycyclopropa[3,4]cyclohept[1,2-d]indene-5,8(3H,9H)-dione, 1b,2,6,7,10,10a-hexahydro-2-hydroxy-1,1,3,6,9-pentamethyl-, (1aS,1bS,2R,3R,6S,7aR,9R,10aS)- [ACD/Index Name]
STEENKROTIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 182.7±23.6 °C
Index of Refraction: 1.592
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.02
ACD/KOC (pH 5.5): 387.82
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.02
ACD/KOC (pH 7.4): 387.82
Polar Surface Area: 64 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 258.8±5.0 cm3

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