ChemSpider 2D Image | territrem B | C29H34O9

territrem B

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID102723

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6aR,12aS,12bS)-4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromen-1,11(5H)-dion [German] [ACD/IUPAC Name]
(4aR,6aR,12aS,12bS)-4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione [ACD/IUPAC Name]
(4aR,6aR,12aS,12bS)-4a,12a-Dihydroxy-4,4,6a,12b-tétraméthyl-9-(3,4,5-triméthoxyphényl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromène-1,11(5H)-dione [French] [ACD/IUPAC Name]
4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-, (4aR,6aR,12aS,12bS)- [ACD/Index Name]
70407-20-4 [RN]
territrem B
(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione
1YK
4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxy-phenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione
4H,11H-Naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-, (4aR-(4a-α,6a-β,12a-α,12b-β))-
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB4104
      Enzymes/Esterase/Acetylcholinesterase Hello Bio HB4104
      Potent, specific, irreversible acetylcholinesterase (AChE) inhibitor. Hello Bio HB4104
      Tremorgenic mycotoxin. Potent and specific, irreversible acetylcholinesterase (AChE) inhibitor. Hello Bio HB4104

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 226.5±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.09
ACD/KOC (pH 5.5): 1555.68
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.09
ACD/KOC (pH 7.4): 1555.65
Polar Surface Area: 121 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 388.1±5.0 cm3

Click to predict properties on the Chemicalize site


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