ChemSpider 2D Image | ucs1025 a | C22H29NO5

ucs1025 a

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID28533030

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2aR,7R,7aS,7bR)-7b-Hydroxy-7-{[(1S,2S,4aR,8aR)-2,4a,8a-triméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}hexahydrofuro[2,3,4-gh]pyrrolizine-2,6-dione [French] [ACD/IUPAC Name]
(2aR,7R,7aS,7bR)-7b-Hydroxy-7-{[(1S,2S,4aR,8aR)-2,4a,8a-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}hexahydrofuro[2,3,4-gh]pyrrolizine-2,6-dione [ACD/IUPAC Name]
(2aR,7R,7aS,7bR)-7b-Hydroxy-7-{[(1S,2S,4aR,8aR)-2,4a,8a-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}hexahydrofuro[2,3,4-gh]pyrrolizin-2,6-dion [German] [ACD/IUPAC Name]
Furo[2,3,4-gh]pyrrolizine-2,6-dione, hexahydro-7b-hydroxy-7-[[(1S,2S,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2,4a,8a-trimethyl-1-naphthalenyl]carbonyl]-, (2aR,7R,7aS,7bR)- [ACD/Index Name]
ucs1025 a
(2aR,7R,7aS,7bR)-7b-hydroxy-7-{[(1S,2S,4aR,8aR)-2,4a,8a-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl}hexahydrofuro[2,3,4-gh]pyrrolizine-2,6-dione
  • Miscellaneous

    • Chemical Class:

      An organic heterotricyclic compound that incorporates a lactam and a <locant>gamma</locant>-lactone as part of the cyclic system which in turn is attached to a (2,4a,8a-trimethyl-octahydronaphthalen-1 -yl)carbonyl group at position 7. It is isolated from <ital>Acremonium</ital> sp. KY4917 and exhibits antibacterial activity. ChEBI CHEBI:66338
      An organic heterotricyclic compound that incorporates a lactam and a gamma-lactone as part of the cyclic system which in turn is attached to a (2,4a,8a-trimethyl-octahydronaphthalen-1; -yl)carbonyl gr oup at position 7. It is isolated from Acremonium sp. KY4917 and exhibits antibacterial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66338
      An organic heterotricyclic compound that incorporates a lactam and a gamma-lactone as part of the cyclic system which in turn is attached to a (2,4a,8a-trimethyl-octahydronaphthalen-1-yl)carbonyl grou p at position 7. It is isolated from Acremonium sp. KY4917 and exhibits antibacterial activity. ChEBI CHEBI:66338

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.01
ACD/KOC (pH 5.5): 675.48
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.76
ACD/KOC (pH 7.4): 672.87
Polar Surface Area: 84 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

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