Found 125 results

Search term: MF = 'C_{27}H_{32}O_{3}'
ChemSpider 2D Image | MFCD02727827 | C27H32O3

MFCD02727827

  • Molecular FormulaC27H32O3
  • Average mass404.541 Da
  • Monoisotopic mass404.235138 Da
  • ChemSpider ID22902482

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,4aR,4bR,10bR,12aR)-7-Methoxy-4a-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-2-chrysenyl benzoate [ACD/IUPAC Name]
(2R,4aR,4bR,10bR,12aR)-7-Methoxy-4a-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-2-chrysenyl-benzoat [German] [ACD/IUPAC Name]
121655-79-6 [RN]
2-Chrysenol, 1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-7-methoxy-4a-methyl-, benzoate, (2R,4aR,4bR,10bR,12aR)- [ACD/Index Name]
Benzoate de (2R,4aR,4bR,10bR,12aR)-7-méthoxy-4a-méthyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodécahydro-2-chrysényle [French] [ACD/IUPAC Name]
MFCD02727827
(2R,4aS,4bR,10bR,12aR)-7-methoxy-4a-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-2-chrysenyl benzoate
BENZOIC ACID 7-MEO-4A-ME-DODECAHYDRO-CHRYSEN-2-YL ESTER
BENZOIC ACID-7-METHOXY-4α-METHYL-DODECAHYDRO-CHRYSEN-2-YL ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 230.3±24.7 °C
Index of Refraction: 1.593
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 431650.56
ACD/KOC (pH 5.5): 376010.59
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 431650.56
ACD/KOC (pH 7.4): 376010.59
Polar Surface Area: 36 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 349.1±5.0 cm3

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