ChemSpider 2D Image | (2S,3R,4R,4aS,7S,8S,8aS)-8-Acetoxy-2,4,7,8a-tetramethyl-6-oxooctahydropyrano[3,2-b]pyran-3-yl (2E,4S)-4-hydroxy-2-octenoate | C22H34O8

(2S,3R,4R,4aS,7S,8S,8aS)-8-Acetoxy-2,4,7,8a-tetramethyl-6-oxooctahydropyrano[3,2-b]pyran-3-yl (2E,4S)-4-hydroxy-2-octenoate

  • Molecular FormulaC22H34O8
  • Average mass426.501 Da
  • Monoisotopic mass426.225372 Da
  • ChemSpider ID28284536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E,4S)-4-Hydroxy-2-octénoate de (2S,3R,4R,4aS,7S,8S,8aS)-8-acétoxy-2,4,7,8a-tétraméthyl-6-oxooctahydropyrano[3,2-b]pyran-3-yle [French] [ACD/IUPAC Name]
(2S,3R,4R,4aS,7S,8S,8aS)-8-Acetoxy-2,4,7,8a-tetramethyl-6-oxooctahydropyrano[3,2-b]pyran-3-yl (2E,4S)-4-hydroxy-2-octenoate [ACD/IUPAC Name]
(2S,3R,4R,4aS,7S,8S,8aS)-8-Acetoxy-2,4,7,8a-tetramethyl-6-oxooctahydropyrano[3,2-b]pyran-3-yl-(2E,4S)-4-hydroxy-2-octenoat [German] [ACD/IUPAC Name]
2-epi-botcinin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 183.0±23.6 °C
Index of Refraction: 1.510
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.66
ACD/KOC (pH 5.5): 1010.87
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.66
ACD/KOC (pH 7.4): 1010.87
Polar Surface Area: 108 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 362.6±5.0 cm3

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