ChemSpider 2D Image | (1S,2S,4aS,8aS)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1,2-diyl diacetate | C24H38O5

(1S,2S,4aS,8aS)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1,2-diyl diacetate

  • Molecular FormulaC24H38O5
  • Average mass406.556 Da
  • Monoisotopic mass406.271912 Da
  • ChemSpider ID23314463

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,4aS,8aS)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1,2-diyl diacetate [ACD/IUPAC Name]
(1S,2S,4aS,8aS)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalin-1,2-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2S,4aS,8aS)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1,2-diyl diacetate
1,2-Naphthalenediol, 1,2,4a,5,6,7,8,8a-octahydro-4-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-3,4a,8,8-tetramethyl-, 1,2-diacetate, (1S,2S,4aS,8aS)- [ACD/Index Name]
Diacétate de (1S,2S,4aS,8aS)-4-[(3E)-5-hydroxy-3-méthyl-3-pentén-1-yl]-3,4a,8,8-tétraméthyl-1,2,4a,5,6,7,8,8a-octahydronaphtalène-1,2-diyle [French] [ACD/IUPAC Name]
273212-70-7 [RN]
6[β],7[α]-Diacetoxylabda-8,13-dien-15-ol
6β,7α-diacetoxylabda-8,13E-dien-15-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401598/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 480.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 150.7±22.2 °C
Index of Refraction: 1.514
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14349.40
ACD/KOC (pH 5.5): 32888.90
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14349.40
ACD/KOC (pH 7.4): 32888.90
Polar Surface Area: 73 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site


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