ChemSpider 2D Image | (4S,5E,8S,9E,11S,13E,15E,18R)-8-Methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside | C34H52O9

(4S,5E,8S,9E,11S,13E,15E,18R)-8-Methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC34H52O9
  • Average mass604.771 Da
  • Monoisotopic mass604.361145 Da
  • ChemSpider ID29214009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,5E,8S,9E,11S,13E,15E,18R)-8-Methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(4S,5E,8S,9E,11S,13E,15E,18R)-8-Methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(4s,5e,8s,9e,11s,13e,15e,18r)-8-Methoxy-9,11-Dimethyl-18-[(1z,4e)-2-Methylhexa-1,4-Dien-1-Yl]-2-Oxooxacyclooctadeca-5,9,13,15-Tetraen-4-Yl 3-O-Methyl-β-D-Glucopyranoside
3-O-Méthyl-β-D-glucopyranoside de (4S,5E,8S,9E,11S,13E,15E,18R)-8-méthoxy-9,11-diméthyl-18-[(1Z,4E)-2-méthyl-1,4-hexadién-1-yl]-2-oxooxacyclooctadéca-5,9,13,15-tétraén-4-yle [French] [ACD/IUPAC Name]
Oxacyclooctadeca-5,9,13,15-tetraen-2-one, 8-methoxy-9,11-dimethyl-4-[(3-O-methyl-β-D-glucopyranosyl)oxy]-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-, (4S,5E,8S,9E,11S,13E,15E,18R)- [ACD/Index Name]
7BS
Biselyngbyaside

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 229.5±26.4 °C
Index of Refraction: 1.546
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21662.05
ACD/KOC (pH 5.5): 44165.14
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21661.91
ACD/KOC (pH 7.4): 44164.85
Polar Surface Area: 124 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 529.6±5.0 cm3

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