Found 20 results

Search term: MF = 'C_{32}H_{56}O_{3}'
ChemSpider 2D Image | (3aS,7S,12aR)-1-[(2R)-6-Ethoxy-5-methoxy-2-heptanyl]-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred name) | C32H56O3

(3aS,7S,12aR)-1-[(2R)-6-Ethoxy-5-methoxy-2-heptanyl]-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred name)

  • Molecular FormulaC32H56O3
  • Average mass488.785 Da
  • Monoisotopic mass488.422943 Da
  • ChemSpider ID128314200

  • defined stereocentres - 4 of 11 defined stereocentres

More details:

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

(3aS,7S,12aR)-1-[(2R)-6-Ethoxy-5-methoxy-2-heptanyl]-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred name) [German] [ACD/IUPAC Name]
(3aS,7S,12aR)-1-[(2R)-6-Ethoxy-5-methoxy-2-heptanyl]-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred name) [ACD/IUPAC Name]
(3aS,7S,12aR)-1-[(2R)-6-Éthoxy-5-méthoxy-2-heptanyl]-3a,6,6,12a-tétraméthyltétradécahydro-1H-cyclopenta[a]cyclopropa[e]phénanthrén-7-ol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 547.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 284.8±21.8 °C
Index of Refraction: 1.524
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 638205.75
ACD/KOC (pH 5.5): 497463.41
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 638205.75
ACD/KOC (pH 7.4): 497463.41
Polar Surface Area: 39 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 473.2±5.0 cm3

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