ChemSpider 2D Image | acinospesigenin A | C32H50O6

acinospesigenin A

  • Molecular FormulaC32H50O6
  • Average mass530.736 Da
  • Monoisotopic mass530.360718 Da
  • ChemSpider ID8228294

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4aS,6bR,8aR,9R,10S,12aS,12bR,13R,14aS,14bS)-10-Acetoxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picencarbonsäur e [German] [ACD/IUPAC Name]
(4aS,6bR,8aR,9R,10S,12aS,12bR,13R,14aS,14bS)-10-Acetoxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2H)-picenecarboxyli c acid [ACD/IUPAC Name]
4a(2H)-Picenecarboxylic acid, 10-(acetyloxy)-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-, (4aS,6bR,8aR,9R,10S,12aS,12bR,1 3R,14aS,14bS)- [ACD/Index Name]
Acide (4aS,6bR,8aR,9R,10S,12aS,12bR,13R,14aS,14bS)-10-acétoxy-13-hydroxy-9-(hydroxyméthyl)-2,2,6b,9,12a,14a-hexaméthyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadécahydro-4a(2H)-picènecar boxylique [French] [ACD/IUPAC Name]
acinospesigenin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 193.6±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 5096.51
ACD/KOC (pH 5.5): 7564.19
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 81.04
ACD/KOC (pH 7.4): 120.28
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 447.7±5.0 cm3

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