ChemSpider 2D Image | excavatoid K | C20H30O8

excavatoid K

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID27024864

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,2S,4S,4aR,5R,6S,8Z,9aS,12aR,13S,13aS)-2,4,5,6,13-Pentahydroxy-1,4a,8,11a-tetramethyl-2,3,4,4a,5,6,7,9a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-11(11aH)-on [German] [ACD/IUPAC Name]
(1R,2S,4S,4aR,5R,6S,8Z,9aS,12aR,13S,13aS)-2,4,5,6,13-Pentahydroxy-1,4a,8,11a-tetramethyl-2,3,4,4a,5,6,7,9a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-11(11aH)-one [ACD/IUPAC Name]
(1R,2S,4S,4aR,5R,6S,8Z,9aS,12aR,13S,13aS)-2,4,5,6,13-Pentahydroxy-1,4a,8,11a-tétraméthyl-2,3,4,4a,5,6,7,9a,13,13a-décahydro-1H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furan-11(11aH)-one [French] [ACD/IUPAC Name]
1H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-11(11aH)-one, 2,3,4,4a,5,6,7,9a,13,13a-decahydro-2,4,5,6,13-pentahydroxy-1,4a,8,11a-tetramethyl-, (1R,2S,4S,4aR,5R,6S,8Z,9aS,12aR,13S,13aS)- [ACD/Index Name]
excavatoid K

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 219.4±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.43
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.43
Polar Surface Area: 140 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 277.5±5.0 cm3

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