ChemSpider 2D Image | (3S,6E,10E)-2-Hydroxy-2,6,10-trimethyl-12-[(2-oxo-2H-chromen-7-yl)oxy]-6,10-dodecadien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C36H52O15

(3S,6E,10E)-2-Hydroxy-2,6,10-trimethyl-12-[(2-oxo-2H-chromen-7-yl)oxy]-6,10-dodecadien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC36H52O15
  • Average mass724.789 Da
  • Monoisotopic mass724.330627 Da
  • ChemSpider ID4949586

  • 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

(3S,6E,10E)-2-Hydroxy-2,6,10-trimethyl-12-[(2-oxo-2H-chromen-7-yl)oxy]-6,10-dodecadien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3S,6E,10E)-2-Hydroxy-2,6,10-trimethyl-12-[(2-oxo-2H-chromen-7-yl)oxy]-6,10-dodecadien-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(2E,6E,10S)-10-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-11-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]oxy]- [ACD/Index Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3S,6E,10E)-2-hydroxy-2,6,10-triméthyl-12-[(2-oxo-2H-chromén-7-yl)oxy]-6,10-dodécadién-3-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-((10-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-11-hydroxy-3,7,11-trimethyl-2,6-dodecadienyl)oxy)-, (S-(E,E))-
53011-70-4 [RN]
7-[(2E,6E,10S)-10-[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-OXAN-2-YL]OXY-11-HYDROXY-3,7,11-TRIMETHYL-DODECA-2,6-DIENOXY]CHROMEN-2-ONE
Reoselin
Reoselin A
Rheozelin A

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

BRN 1675994 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 291.2±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.84
ACD/KOC (pH 5.5): 165.67
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 165.66
Polar Surface Area: 234 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 517.1±5.0 cm3

Click to predict properties on the Chemicalize site


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