ChemSpider 2D Image | Bassianolide | C48H84N4O12

Bassianolide

  • Molecular FormulaC48H84N4O12
  • Average mass909.200 Da
  • Monoisotopic mass908.608582 Da
  • ChemSpider ID52084768

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octon [German] [ACD/IUPAC Name]
(3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone [ACD/IUPAC Name]
(3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-Tétraisobutyl-6,12,18,24-tétraisopropyl-4,10,16,22-tétraméthyl-1,7,13,19-tétraoxa-4,10,16,22-tétraazacyclotétracosane-2,5,8,11,14,17,20,23-octone [French] [ACD/IUPAC Name]
1,7,13,19-Tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone, 4,10,16,22-tetramethyl-6,12,18,24-tetrakis(1-methylethyl)-3,9,15,21-tetrakis(2-methylpropyl)-, (3S,6R,9S,12R,15S,18R ,21S,24R)- [ACD/Index Name]
64763-82-2 [RN]
Bassianolide
(-)-Bassianolide
BASS
MFCD28898444

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

806ADE0Q38 [DBID]
UNII:806ADE0Q38 [DBID]
  • Miscellaneous

    • Chemical Class:

      A cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Vert icillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170. ChEBI CHEBI:145108

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1015.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 568.0±34.3 °C
Index of Refraction: 1.456
Molar Refractivity: 244.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19569.67
ACD/KOC (pH 5.5): 41067.86
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19569.67
ACD/KOC (pH 7.4): 41067.86
Polar Surface Area: 186 Å2
Polarizability: 96.7±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 898.4±3.0 cm3

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