ChemSpider 2D Image | tigilanol tiglate | C30H42O10

tigilanol tiglate

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID52084739

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8R,8aS)-3,3a,6b-Trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-8a-{[(2S)-2-methylbutanoyl]oxy}-4-oxo-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-1H-cyclopropa[5', 6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8R,8aS)-3,3a,6b-Trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-8a-{[(2S)-2-methylbutanoyl]oxy}-4-oxo-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-1H-cyclopropa[5', 6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8R,8aS)-3,3a,6b-trihydroxy-2a-(hydroxyméthyl)-1,1,5,7-tétraméthyl-8a-{[(2S)-2-méthylbutanoyl]oxy}-4-oxo-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a- dodécahydro-1H-cyclopropa[5',6']benzo[1',2':7,8]azuléno[5,6-b]oxirén-8-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8R,8aS)-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-8a-[(2S)-2-methyl-1-oxobuto xy]-4-oxo-1H-cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren-8-yl ester, (2E)- [ACD/Index Name]
943001-56-7 [RN]
EBC-46
tigilanol tiglate [INN] [USAN] [Wiki]
tigilanoli tiglas [Latin] [INN]
toglato de tigilanol [Spanish] [INN]
тигиланола тиглат [Russian] [INN]
More...

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

R1ZJT87990 [DBID]
UNII:R1ZJT87990 [DBID]
  • Miscellaneous

    • Chemical Class:

      A diterpenoid natural product isolated from the kernels of the Australian blushwood tree (Fontainea picrosperma). It is approved as a veterinary pharmaceutical for the treatment of non-metastatic and non-resectable canine mast cell tumours. ChEBI CHEBI:194146

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 216.4±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1190.93
ACD/KOC (pH 5.5): 5537.56
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1190.31
ACD/KOC (pH 7.4): 5534.66
Polar Surface Area: 163 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

Click to predict properties on the Chemicalize site


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