ChemSpider 2D Image | (1R,9R,11S,14R,16S,17S,18S,23S,25R)-18-Ethyl-12-(hydroxymethyl)-10,13-dioxa-8,20-diazaoctacyclo[15.5.2.1~8,11~.0~1,9~.0~2,7~.0~9,16~.0~14,25~.0~20,23~]pentacosa-2,4,6-trien-14-ol | C24H30N2O4

(1R,9R,11S,14R,16S,17S,18S,23S,25R)-18-Ethyl-12-(hydroxymethyl)-10,13-dioxa-8,20-diazaoctacyclo[15.5.2.18,11.01,9.02,7.09,16.014,25.020,23]pentacosa-2,4,6-trien-14-ol

  • Molecular FormulaC24H30N2O4
  • Average mass410.506 Da
  • Monoisotopic mass410.220551 Da
  • ChemSpider ID28287011

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,9R,11S,14R,16S,17S,18S,23S,25R)-18-Ethyl-12-(hydroxymethyl)-10,13-dioxa-8,20-diazaoctacyclo[15.5.2.18,11.01,9.02,7.09,16.014,25.020,23]pentacosa-2,4,6-trien-14-ol [German] [ACD/IUPAC Name]
(1R,9R,11S,14R,16S,17S,18S,23S,25R)-18-Ethyl-12-(hydroxymethyl)-10,13-dioxa-8,20-diazaoctacyclo[15.5.2.18,11.01,9.02,7.09,16.014,25.020,23]pentacosa-2,4,6-trien-14-ol [ACD/IUPAC Name]
(1R,9R,11S,14R,16S,17S,18S,23S,25R)-18-Éthyl-12-(hydroxyméthyl)-10,13-dioxa-8,20-diazaoctacyclo[15.5.2.18,11.01,9.02,7.09,16.014,25.020,23]pentacosa-2,4,6-trién-14-ol [French] [ACD/IUPAC Name]
9b,13-Epoxy-7,9-ethano-9H-furo[2',3':5,6]pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazole-12-methanol, 16-ethyl-5,6,7a,8,9a,10,10a,12,13,13a-decahydro-10a-hydroxy-, (4bR,7aS,9S,9aS,9bR,10aR,13S,13aR,16S)- [ACD/Index Name]
melohenine A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.4±31.5 °C
Index of Refraction: 1.725
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 4.99
ACD/KOC (pH 7.4): 44.73
Polar Surface Area: 65 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement