Found 6 results

Search term: JPBOABGEVHVPNM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E,4E)-7-{(2S,3S,4aS,5aR,6aS,7aR,10S,12aS,14aR,15aS,16S,17aR)-11-[(3Z)-3,5-Hexadien-1-yl]-10,16-dihydroxy-3,10,14a,17a-tetramethylicosahydrooxepino[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano [2,3-f]oxepin-2-yl}-3,4-dimethyl-2,4-heptadienal (non-preferred name) | C39H60O8

(2E,4E)-7-{(2S,3S,4aS,5aR,6aS,7aR,10S,12aS,14aR,15aS,16S,17aR)-11-[(3Z)-3,5-Hexadien-1-yl]-10,16-dihydroxy-3,10,14a,17a-tetramethylicosahydrooxepino[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano [2,3-f]oxepin-2-yl}-3,4-dimethyl-2,4-heptadienal (non-preferred name)

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID75548294

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2E,4E)-7-{(2S,3S,4aS,5aR,6aS,7aR,10S,12aS,14aR,15aS,16S,17aR)-11-[(3Z)-3,5-Hexadien-1-yl]-10,16-dihydroxy-3,10,14a,17a-tetramethylicosahydrooxepino[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano [2,3-f]oxepin-2-yl}-3,4-dimethyl-2,4-heptadienal (non-preferred name) [German] [ACD/IUPAC Name]
(2E,4E)-7-{(2S,3S,4aS,5aR,6aS,7aR,10S,12aS,14aR,15aS,16S,17aR)-11-[(3Z)-3,5-Hexadien-1-yl]-10,16-dihydroxy-3,10,14a,17a-tetramethylicosahydrooxepino[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano [2,3-f]oxepin-2-yl}-3,4-dimethyl-2,4-heptadienal (non-preferred name) [ACD/IUPAC Name]
(2E,4E)-7-{(2S,3S,4aS,5aR,6aS,7aR,10S,12aS,14aR,15aS,16S,17aR)-11-[(3Z)-3,5-Hexadién-1-yl]-10,16-dihydroxy-3,10,14a,17a-tétraméthylicosahydrooxépino[3,2-b]pyrano[2'',3'':6',7']oxépino[2',3':5,6]pyrano [2,3-f]oxépin-2-yl}-3,4-diméthyl-2,4-heptadiénal (non-preferred name) [French] [ACD/IUPAC Name]
D-lyxo-L-allo-L-allo-Eicositol, 1,6:5,10:9,13:12,17:16,20-pentaanhydro-3,4,7,8,11,15,18,19-octadeoxy-20-C-[(3E,5E)-4,5-dimethyl-7-oxo-3,5-heptadien-1-yl]-1-C-[(3Z)-3,5-hexadien-1-yl]-19-methyl-2,9,16- ;tri-C-methyl-, (1ξ,20S)- [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: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 228.2±26.4 °C
Index of Refraction: 1.510
Molar Refractivity: 183.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44275.60
ACD/KOC (pH 5.5): 73672.80
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44275.60
ACD/KOC (pH 7.4): 73672.80
Polar Surface Area: 104 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 614.2±3.0 cm3

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