Found 21 results

Search term: MF = 'C_{42}H_{60}O_{6}'
ChemSpider 2D Image | 8-[2-(Adamantan-1-yl)acetoxy]octyl (2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-formyl-9,10a-dimethyl-7-oxo-1,2,3,3a,4,6a,7,9a,10,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]-2-pentenoate | C42H60O6

8-[2-(Adamantan-1-yl)acetoxy]octyl (2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-formyl-9,10a-dimethyl-7-oxo-1,2,3,3a,4,6a,7,9a,10,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]-2-pentenoate

  • Molecular FormulaC42H60O6
  • Average mass660.922 Da
  • Monoisotopic mass660.438965 Da
  • ChemSpider ID129305529

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-Formyl-9,10a-diméthyl-7-oxo-1,2,3,3a,4,6a,7,9a,10,10a-décahydrodicyclopenta[a,d][8]annulén-3-yl]-2-penténoate de 8-[2-(adamantan-1-yl)acétoxy]octyle [French] [ACD/IUPAC Name]
8-[2-(Adamantan-1-yl)acetoxy]octyl (2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-formyl-9,10a-dimethyl-7-oxo-1,2,3,3a,4,6a,7,9a,10,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]-2-pentenoate [ACD/IUPAC Name]
8-[2-(Adamantan-1-yl)acetoxy]octyl-(2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-formyl-9,10a-dimethyl-7-oxo-1,2,3,3a,4,6a,7,9a,10,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]-2-pentenoat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 8-[[(2E,4S)-4-[(3R,3aS,5E,6aR,9aS,10aR)-6-formyl-1,2,3,3a,4,6a,7,9a,10,10a-decahydro-9,10a-dimethyl-7-oxodicyclopenta[a,d]cycloocten-3-yl]-1-oxo-2-penten-1- yl]oxy]octyl ester [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: 739.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.57
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2918126.50
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2918126.50
Polar Surface Area: 87 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 591.8±3.0 cm3

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