Found 28 results

Search term: MF = 'C_{33}H_{50}O_{11}'
ChemSpider 2D Image | (1R,2S,6S,7E,10S,11E,13S,15S)-10-Methoxy-11,13-dimethyl-2-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-4-oxo-3,16,17-trioxabicyclo[13.2.2]nonadeca-7,11,18-trien-6-yl 3-O-methyl-beta-D-glucopyranoside | C33H50O11

(1R,2S,6S,7E,10S,11E,13S,15S)-10-Methoxy-11,13-dimethyl-2-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-4-oxo-3,16,17-trioxabicyclo[13.2.2]nonadeca-7,11,18-trien-6-yl 3-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC33H50O11
  • Average mass622.744 Da
  • Monoisotopic mass622.335327 Da
  • ChemSpider ID128441316

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,6S,7E,10S,11E,13S,15S)-10-Methoxy-11,13-dimethyl-2-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-4-oxo-3,16,17-trioxabicyclo[13.2.2]nonadeca-7,11,18-trien-6-yl 3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,6S,7E,10S,11E,13S,15S)-10-Methoxy-11,13-dimethyl-2-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-4-oxo-3,16,17-trioxabicyclo[13.2.2]nonadeca-7,11,18-trien-6-yl-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,16,17-Trioxabicyclo[13.2.2]nonadeca-7,11,18-trien-4-one, 10-methoxy-11,13-dimethyl-6-[(3-O-methyl-β-D-glucopyranosyl)oxy]-2-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-, (1R,2S,6S,7E,10S,11E,13S,15S)- [ACD/Index Name]
3-O-Méthyl-β-D-glucopyranoside de (1R,2S,6S,7E,10S,11E,13S,15S)-10-méthoxy-11,13-diméthyl-2-[(1Z,4E)-2-méthyl-1,4-hexadién-1-yl]-4-oxo-3,16,17-trioxabicyclo[13.2.2]nonadéca-7,11,18-trién-6-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4514624/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 230.6±26.4 °C
Index of Refraction: 1.552
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2679.54
ACD/KOC (pH 5.5): 9894.66
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2679.52
ACD/KOC (pH 7.4): 9894.59
Polar Surface Area: 142 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 514.5±5.0 cm3

Click to predict properties on the Chemicalize site


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