ChemSpider 2D Image | RCL T258512 | C31H38O4

RCL T258512

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID22899850
  • defined stereocentres - 12 of 13 defined stereocentres


More details:






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

(1S,2R,3R,4R,5S,6S,9S,10S,11S,12S,16R,19S,20R)-14,15-Diisopropoxy-11-methoxyoctacyclo[18.2.1.16,9.02,19.03,17.04,12.05,10.012,16]tetracosa-7,14,17,21-tetraen-13-on [German] [ACD/IUPAC Name]
(1S,2R,3R,4R,5S,6S,9S,10S,11S,12S,16R,19S,20R)-14,15-Diisopropoxy-11-methoxyoctacyclo[18.2.1.16,9.02,19.03,17.04,12.05,10.012,16]tetracosa-7,14,17,21-tetraen-13-one [ACD/IUPAC Name]
(1S,2R,3R,4R,5S,6S,9S,10S,11S,12S,16R,19S,20R)-14,15-Diisopropoxy-11-méthoxyoctacyclo[18.2.1.16,9.02,19.03,17.04,12.05,10.012,16]tétracosa-7,14,17,21-tétraén-13-one [French] [ACD/IUPAC Name]
1,4:10,13-Dimethano-6H-pentaleno[2,1-a:3,3a-a']diinden-6-one, 1,4,4a,5,8a,9a,10,13,13a,13b,13c,13d-dodecahydro-5-methoxy-7,8-bis(1-methylethoxy)-, (1S,4S,4aS,5S,5aS,8aR,9aS,10R,13S,13aR,13bR,13cR,13dS )- [ACD/Index Name]
MFCD10569514
RCL T258512

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14787.82
ACD/KOC (pH 5.5): 33605.11
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14787.82
ACD/KOC (pH 7.4): 33605.11
Polar Surface Area: 45 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

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