ChemSpider 2D Image | norokadanone | C43H66O11

norokadanone

  • Molecular FormulaC43H66O11
  • Average mass758.977 Da
  • Monoisotopic mass758.460510 Da
  • ChemSpider ID4946812

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-[(2S,5R,6R,8S)-5-Hydroxy-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan -2,2'-pyrano[3,2-b]pyran]-5-yl]-3-buten-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetone [ACD/IUPAC Name]
131204-29-0 [RN]
1-Norokadaone
2-Propanone, 1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl ]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- [ACD/Index Name]
norokadanone
1-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'AR,5R,6'S,8'R,8'AS)-8'-HYDROXY-6'-[(1S,3S)-1-HYDROXY-3-[(2S,3R,6S)-3-METHYL-1,7-DIOXASPIRO[5.5]UNDECAN-2-YL]BUTYL]-7'-METHYLIDENE-HEXAHYDROSPIRO[OXOLANE-2,2'-PYRANO[3,2-B]PYRAN]-5-YL]BUT-3-EN-2-YL]-5-HYDROXY-10-METHYL-1,7-DIOXASPIRO[5.5]UNDEC-10-EN-2-YL]PROPAN-2-ONE
1-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4As,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]propan-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 865.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.9±6.0 kJ/mol
Flash Point: 254.0±27.8 °C
Index of Refraction: 1.571
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2843.23
ACD/KOC (pH 5.5): 10323.67
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2843.23
ACD/KOC (pH 7.4): 10323.66
Polar Surface Area: 142 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 617.1±5.0 cm3

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