ChemSpider 2D Image | (3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3-Isopropyl-3a,5a,7a,8,13a-pentamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadecahydro-11bH-cyclopenta[a]chrysene-11b-carbaldehyde | C30H48O

(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3-Isopropyl-3a,5a,7a,8,13a-pentamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadecahydro-11bH-cyclopenta[a]chrysene-11b-carbaldehyde

  • Molecular FormulaC30H48O
  • Average mass424.702 Da
  • Monoisotopic mass424.370514 Da
  • ChemSpider ID62780846

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3-Isopropyl-3a,5a,7a,8,13a-pentamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadecahydro-11bH-cyclopenta[a]chrysen-11b-carbaldehyd [German] [ACD/IUPAC Name]
(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3-Isopropyl-3a,5a,7a,8,13a-pentamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadecahydro-11bH-cyclopenta[a]chrysene-11b-carbaldehyde [ACD/IUPAC Name]
(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3-Isopropyl-3a,5a,7a,8,13a-pentaméthyl-1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadécahydro-11bH-cyclopenta[a]chrysène-11b-carbaldéhyde [French] [ACD/IUPAC Name]
11bH-Cyclopenta[a]chrysene-11b-carboxaldehyde, 1,2,3,3a,4,5,5a,5b,6,7,7a,10,11,11a,12,13,13a,13b-octadecahydro-3a,5a,7a,8,13a-pentamethyl-3-(1-methylethyl)-, (3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)- [ACD/Index Name]
(3R,3Ar,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3a,5a,7a,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-11b-carbaldehyde
147850-78-0 [RN]
Filic-3-en-25-al

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 172.4±18.2 °C
Index of Refraction: 1.541
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 10.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8240203.00
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8240203.00
Polar Surface Area: 17 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

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