ChemSpider 2D Image | (2S)-3-[(1-~13~C)Ethanoyloxy]-2-hydroxy(2-~13~C)propyl (2R,4aR,10aR)-2,4a,8,8,10a-pentamethyl(2,4,4b,6,8,9,10a-~13~C_7_)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrene(~13~C)carboxylate | C1513C10H40O5

(2S)-3-[(1-13C)Ethanoyloxy]-2-hydroxy(2-13C)propyl (2R,4aR,10aR)-2,4a,8,8,10a-pentamethyl(2,4,4b,6,8,9,10a-13C7)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrene(13C)carboxylate

  • Molecular FormulaC1513C10H40O5
  • Average mass430.509 Da
  • Monoisotopic mass430.321136 Da
  • ChemSpider ID9277198

  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,4aR,10aR)-2,4a,8,8,10a-Pentaméthyl(2,4,4b,6,8,9,10a-13C7)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodécahydro-1-phénanthrène(13C)carboxylate de (2S)-3-[(1-13C)éthanoyloxy]-2-hydroxy(2-13C)propyle [French] [ACD/IUPAC Name]
(2S)-3-[(1-13C)Ethanoyloxy]-2-hydroxy(2-13C)propyl (2R,4aR,10aR)-2,4a,8,8,10a-pentamethyl(2,4,4b,6,8,9,10a-13C7)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrene(13C)carboxylate [ACD/IUPAC Name]
(2S)-3-[(1-13C)Ethanoyloxy]-2-hydroxy(2-13C)propyl-(2R,4aR,10aR)-2,4a,8,8,10a-pentamethyl(2,4,4b,6,8,9,10a-13C7)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthren(13C)carboxylat [German] [ACD/IUPAC Name]
1-Phenanthrene-2,4,4b,6,8,9,10a-13C7-carboxylic-13C acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2,4a,8,8,10a-pentamethyl-, (2S)-2-hydroxy-3-[(1-oxoethyl-1-13C)oxy]propyl-2-13C ester, (2R, 
4aR,10aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

Click to predict properties on the Chemicalize site


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