Found 5 results

Search term: MF = 'C_{44}H_{62}O_{6}'
ChemSpider 2D Image | 8-[2-(Adamantan-1-yl)acetoxy]octyl (2Z,4Z,6S)-6-[(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]-2,4-heptadienoate | C44H62O6

8-[2-(Adamantan-1-yl)acetoxy]octyl (2Z,4Z,6S)-6-[(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]-2,4-heptadienoate

  • Molecular FormulaC44H62O6
  • Average mass686.959 Da
  • Monoisotopic mass686.454651 Da
  • ChemSpider ID129305536

  • 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

(2Z,4Z,6S)-6-[(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]-2,4-heptadiénoate de 8-[2-(adamantan-1-yl)acétoxy]octyle [French] [ACD/IUPAC Name]
8-[2-(Adamantan-1-yl)acetoxy]octyl (2Z,4Z,6S)-6-[(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]-2,4-heptadienoate [ACD/IUPAC Name]
8-[2-(Adamantan-1-yl)acetoxy]octyl-(2Z,4Z,6S)-6-[(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]-2,4-heptadienoat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 8-[[(2Z,4Z,6S)-6-[(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-2,4-hept adien-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: 764.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 304.6±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 198.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.11
ACD/LogD (pH 5.5): 9.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4900844.00
ACD/LogD (pH 7.4): 9.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4900844.00
Polar Surface Area: 87 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 618.4±3.0 cm3

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