ChemSpider 2D Image | (2S,3aS,4aR,6aS,8E,12E,15aR,16bS,16cR)-2,6a,10,10,13,16b-Hexamethyl-5-oxo-2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadecahydro-1H-cyclopenta[5,6]pentaleno[2,1-b]cycloundeca[e]pyran-2-carboxylic acid | C30H42O4

(2S,3aS,4aR,6aS,8E,12E,15aR,16bS,16cR)-2,6a,10,10,13,16b-Hexamethyl-5-oxo-2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadecahydro-1H-cyclopenta[5,6]pentaleno[2,1-b]cycloundeca[e]pyran-2-carboxylic acid

  • Molecular FormulaC30H42O4
  • Average mass466.652 Da
  • Monoisotopic mass466.308319 Da
  • ChemSpider ID78440983

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3aS,4aR,6aS,8E,12E,15aR,16bS,16cR)-2,6a,10,10,13,16b-Hexamethyl-5-oxo-2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadecahydro-1H-cyclopenta[5,6]pentaleno[2,1-b]cycloundeca[e]pyran-2-carbonsäur e [German] [ACD/IUPAC Name]
(2S,3aS,4aR,6aS,8E,12E,15aR,16bS,16cR)-2,6a,10,10,13,16b-Hexamethyl-5-oxo-2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadecahydro-1H-cyclopenta[5,6]pentaleno[2,1-b]cycloundeca[e]pyran-2-carboxylic acid [ACD/IUPAC Name]
1H-Cyclopenta[5,6]pentaleno[2,1-b]cycloundeca[e]pyran-2-carboxylic acid, 2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadecahydro-2,6a,10,10,13,16b-hexamethyl-5-oxo-, (2S,3aS,4aR,6aS,8E,12E,15aR,16 bS,16cR)- [ACD/Index Name]
Acide (2S,3aS,4aR,6aS,8E,12E,15aR,16bS,16cR)-2,6a,10,10,13,16b-hexaméthyl-5-oxo-2,3,3a,4,4a,5,6a,7,10,11,14,15,15a,16,16b,16c-hexadécahydro-1H-cyclopenta[5,6]pentaléno[2,1-b]cycloundéca[e]pyrane-2-car boxylique [French] [ACD/IUPAC Name]
Sterhirsutin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 191.4±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 19211.24
ACD/KOC (pH 5.5): 23517.87
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 305.83
ACD/KOC (pH 7.4): 374.39
Polar Surface Area: 64 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 406.0±5.0 cm3

Click to predict properties on the Chemicalize site


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