Found 12 results

Search term: MF = 'C_{47}H_{67}NO_{12}'
ChemSpider 2D Image | (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 -yl 6-deoxy-3-O-methyl-beta-D-glucopyranoside | C47H67NO12

(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 -yl 6-deoxy-3-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC47H67NO12
  • Average mass838.034 Da
  • Monoisotopic mass837.466309 Da
  • ChemSpider ID8923400

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 15 defined stereocentres

More details:

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

(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 ;-yl 6-deoxy-3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 ;-yl-6-desoxy-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
14,32-Dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one, 25-[(6-deoxy-3-O-methyl-β-D-glucopyranosyl)oxy]-13-(2,4-dihydroxy-1-methylpentyl)-3,5-dihydroxy-2,12 ,22,24-tetramethyl-, (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)- [ACD/Index Name]
6-Désoxy-3-O-méthyl-β-D-glucopyranoside de (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tétraméthyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta -1(33),6,8,10,16,18,20,22,26,28,30-undécaén-25-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 985.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.4±3.0 kJ/mol
Flash Point: 549.6±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 231.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1267.26
ACD/KOC (pH 5.5): 5789.32
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1267.27
ACD/KOC (pH 7.4): 5789.37
Polar Surface Area: 201 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 691.8±5.0 cm3

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