ChemSpider 2D Image | Methyl (1R,2S,5S)-10,14-dihydroxy-2-isopropenyl-16-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6,18-dioxapentacyclo[9.7.1.1~1,5~.0~7,19~.0~12,17~]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate | C38H46O6

Methyl (1R,2S,5S)-10,14-dihydroxy-2-isopropenyl-16-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate

  • Molecular FormulaC38H46O6
  • Average mass598.768 Da
  • Monoisotopic mass598.329468 Da
  • ChemSpider ID78441517

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5S)-10,14-Dihydroxy-2-isopropényl-16-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaène-5-carboxylate de mét
 hyle [French] [ACD/IUPAC Name]
5,8a-Methano-8aH-[1]benzopyrano[2,3,4-fg][1]benzoxocin-5(6H)-carboxylic acid, 7,8-dihydro-1,12-dihydroxy-8-(1-methylethenyl)-10-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, methyl ester, (5S,8 S,8aR)- [ACD/Index Name]
Methyl (1R,2S,5S)-10,14-dihydroxy-2-isopropenyl-16-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,5S)-10,14-dihydroxy-2-isopropenyl-16-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaen-5-carboxylat [German] [ACD/IUPAC Name]
Cochlearoid C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 744.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 228.5±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.31
ACD/LogD (pH 5.5): 10.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6797479.00
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6741371.00
Polar Surface Area: 85 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 497.8±5.0 cm3

Click to predict properties on the Chemicalize site


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