Found 1 result

Search term: 58117206 (Found by CSID)
ChemSpider 2D Image | (1R,9R,13E)-1-{[(6S,6aS,7R)-3a,7-Dihydroxy-6,8,8-trimethyl-1,3,3a,4,5,6,6a,7,8,9-decahydroazuleno[4,5-c]furan-3-yl]amino}-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-o ne | C30H40N2O4

(1R,9R,13E)-1-{[(6S,6aS,7R)-3a,7-Dihydroxy-6,8,8-trimethyl-1,3,3a,4,5,6,6a,7,8,9-decahydroazuleno[4,5-c]furan-3-yl]amino}-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-o ne

  • Molecular FormulaC30H40N2O4
  • Average mass492.650 Da
  • Monoisotopic mass492.298798 Da
  • ChemSpider ID58117206

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1R,9R,13E)-1-{[(6S,6aS,7R)-3a,7-Dihydroxy-6,8,8-trimethyl-1,3,3a,4,5,6,6a,7,8,9-decahydroazuleno[4,5-c]furan-3-yl]amino}-13-ethyliden-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-on [German] [ACD/IUPAC Name]
(1R,9R,13E)-1-{[(6S,6aS,7R)-3a,7-Dihydroxy-6,8,8-trimethyl-1,3,3a,4,5,6,6a,7,8,9-decahydroazuleno[4,5-c]furan-3-yl]amino}-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-o ne [ACD/IUPAC Name]
(1R,9R,13E)-1-{[(6S,6aS,7R)-3a,7-Dihydroxy-6,8,8-triméthyl-1,3,3a,4,5,6,6a,7,8,9-décahydroazuléno[4,5-c]furan-3-yl]amino}-13-éthylidène-11-méthyl-6-azatricyclo[7.3.1.02,7]tridéca-2(7),3,10-trién-5-o ne [French] [ACD/IUPAC Name]
5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-[[(6S,6aS,7R)-1,3,3a,4,5,6,6a,7,8,9-decahydro-3a,7-dihydroxy-6,8,8-trimethylazuleno[4,5-c]furan-3-yl]amino]-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R ,9R,11E)- [ACD/Index Name]
Huptremule D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 295.09
ACD/KOC (pH 5.5): 1962.59
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.43
ACD/KOC (pH 7.4): 2244.14
Polar Surface Area: 91 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 388.9±5.0 cm3

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