Found 9 results

Search term: MF = 'C_{43}H_{55}NO_{8}'
ChemSpider 2D Image | Methyl (2E)-4-[(2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-16-(1-piperidinyl)-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~ 6,11~]docosa-4(13),5,9,11-tetraen-19-yl]-2-butenoate | C43H55NO8

Methyl (2E)-4-[(2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-16-(1-piperidinyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.0 6,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-butenoate

  • Molecular FormulaC43H55NO8
  • Average mass713.899 Da
  • Monoisotopic mass713.392761 Da
  • ChemSpider ID9940083

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2E)-4-[(2S,8R,17S,19R)-12-Hydroxy-8,21,21-triméthyl-5-(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)-14,18-dioxo-16-(1-pipéridinyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]d ocosa-4(13),5,9,11-tétraén-19-yl]-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-[(1R,5S,11R,14aS)-3a,4,5,6,6a,7-hexahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-6-(1-piperidinyl)-1,5-methano-1H,3H,11H-furo[3 ,4-g]pyrano[3,2-b]xanthen-1-yl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-4-[(2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-16-(1-piperidinyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.0 6,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-butenoate [ACD/IUPAC Name]
Methyl-(2E)-4-[(2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-16-(1-piperidinyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.0 6,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 197.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.10
ACD/LogD (pH 5.5): 8.79
ACD/BCF (pH 5.5): 909447.06
ACD/KOC (pH 5.5): 168613.36
ACD/LogD (pH 7.4): 9.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1548855.88
Polar Surface Area: 112 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 569.4±5.0 cm3

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