ChemSpider 2D Image | (3aR,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy(~13~C_3_)-2-propanyl]-6,10,14,16a-tetrakis[(~13~C)methyl](~13~C_18_)-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one | 13C25H38O4

(3aR,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy(13C3)-2-propanyl]-6,10,14,16a-tetrakis[(13C)methyl](13C18)-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one

  • Molecular Formula13C25H38O4
  • Average mass427.383 Da
  • Monoisotopic mass427.360870 Da
  • ChemSpider ID17621701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3aR,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy(13C3)-2-propanyl]-6,10,14,16a-tetrakis[(13C)methyl](13C18)-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-on [German] [ACD/IUPAC Name]
(3aR,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy(13C3)-2-propanyl]-6,10,14,16a-tetrakis[(13C)methyl](13C18)-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one [ACD/IUPAC Name]
(3aR,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy(13C3)-2-propanyl]-6,10,14,16a-tétrakis[(13C)méthyl](13C18)-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulén-1(3aH)-one [French] [ACD/IUPAC Name]
1(3aH)-Cyclopentacyclopentadecenone-1,2,3,3a,4,5,6,7,8,9,10,11,12,13,14,15,16,16a-13C18, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-(methyl-13C)ethyl-1,2-13C2]-6,10,14, ;16a-tetra(methyl-13C)-, (3aR,7S,10E,14E,16aS)- [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: 1.530
Molar Refractivity: 116.9±0.3 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: 46.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

Click to predict properties on the Chemicalize site


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