Found 14 results

Search term: MF = 'C_{40}H_{46}O_{12}'
ChemSpider 2D Image | (1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-[(Cyclopropylcarbonyl)oxy]-8-(3-furyl)-1,3,7-trimethyl-19-{[(2E)-2-methyl-2-butenoyl]oxy}-10-oxo-9,16-dioxapentacyclo[13.3.1.0~3,17~.0~4,13~.0~7,12~]nonadeca -11,13-dien-2-yl]-2-methoxy-2-oxoethyl cyclopropanecarboxylate | C40H46O12

(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-[(Cyclopropylcarbonyl)oxy]-8-(3-furyl)-1,3,7-trimethyl-19-{[(2E)-2-methyl-2-butenoyl]oxy}-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca -11,13-dien-2-yl]-2-methoxy-2-oxoethyl cyclopropanecarboxylate

  • Molecular FormulaC40H46O12
  • Average mass718.786 Da
  • Monoisotopic mass718.298950 Da
  • ChemSpider ID128437813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-[(Cyclopropylcarbonyl)oxy]-8-(3-furyl)-1,3,7-trimethyl-19-{[(2E)-2-methyl-2-butenoyl]oxy}-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca -11,13-dien-2-yl]-2-methoxy-2-oxoethyl cyclopropanecarboxylate [ACD/IUPAC Name]
(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-[(Cyclopropylcarbonyl)oxy]-8-(3-furyl)-1,3,7-trimethyl-19-{[(2E)-2-methyl-2-butenoyl]oxy}-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca -11,13-dien-2-yl]-2-methoxy-2-oxoethyl-cyclopropancarboxylat [German] [ACD/IUPAC Name]
6,9-Methanocyclopenta[a]pyrano[4,3-g][3]benzoxepin-10-acetic acid, α,6-bis[(cyclopropylcarbonyl)oxy]-1-(3-furanyl)-1,3,6,7a,8,9,10,10a,10b,11,12,12a-dodecahydro-9,10a,12a-trimethyl-13-[[(2E)-2-met hyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, methyl ester, (αR,1R,6R,7aS,9R,10R,10aR,10bS,12aR,13S)- [ACD/Index Name]
Cyclopropanecarboxylate de (1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-[(cyclopropylcarbonyl)oxy]-8-(3-furyl)-1,3,7-triméthyl-19-{[(2E)-2-méthyl-2-butenoyl]oxy}-10-oxo-9,16-dioxapentacyclo[13.3.1.03,1 7.04,13.07,12]nonadéca-11,13-dién-2-yl]-2-méthoxy-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10217.89
ACD/KOC (pH 5.5): 25792.29
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10217.89
ACD/KOC (pH 7.4): 25792.29
Polar Surface Area: 154 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 530.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement