ChemSpider 2D Image | (1R,4S,6S,8R,13R,20R,21R,24S)-21,24-Dihydroxy-6-{[(2S,3S,4E)-1-hydroxy-2,4-dimethyl-4-hexen-3-yl]oxy}-6-(hydroxymethyl)-11,13,22-trimethyl-3,7,19-trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa-10,1 4,16,22-tetraen-2-one | C34H50O9

(1R,4S,6S,8R,13R,20R,21R,24S)-21,24-Dihydroxy-6-{[(2S,3S,4E)-1-hydroxy-2,4-dimethyl-4-hexen-3-yl]oxy}-6-(hydroxymethyl)-11,13,22-trimethyl-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,1 4,16,22-tetraen-2-one

  • Molecular FormulaC34H50O9
  • Average mass602.755 Da
  • Monoisotopic mass602.345459 Da
  • ChemSpider ID9138276

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4S,6S,8R,13R,20R,21R,24S)-21,24-Dihydroxy-6-{[(2S,3S,4E)-1-hydroxy-2,4-dimethyl-4-hexen-3-yl]oxy}-6-(hydroxymethyl)-11,13,22-trimethyl-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,1 ; 4,16,22-tetraen-2-on [German] [ACD/IUPAC Name]
(1R,4S,6S,8R,13R,20R,21R,24S)-21,24-Dihydroxy-6-{[(2S,3S,4E)-1-hydroxy-2,4-dimethyl-4-hexen-3-yl]oxy}-6-(hydroxymethyl)-11,13,22-trimethyl-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,1 ; 4,16,22-tetraen-2-one [ACD/IUPAC Name]
(1R,4S,6S,8R,13R,20R,21R,24S)-21,24-Dihydroxy-6-{[(2S,3S,4E)-1-hydroxy-2,4-diméthyl-4-hexén-3-yl]oxy}-6-(hydroxyméthyl)-11,13,22-triméthyl-3,7,19-trioxatétracyclo[15.6.1.14,8.020,24]pentacosa-10,1 ; 4,16,22-tétraén-2-one [French] [ACD/IUPAC Name]
11,15-Methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-17-one, 6,7,10,11,14,15,17a,20,20a,20b-decahydro-20,20b-dihydroxy-13-(hydroxymethyl)-13-[[(1S,2E)-1-[(1S)-2-hydroxy-1-methylethyl]- 2-methyl-2-buten-1-yl]oxy]-6,8,19-trimethyl-, (6R,11R,13S,15S,17aR,20R,20aR,20bS)- [ACD/Index 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: 795.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 248.0±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2696.00
ACD/KOC (pH 5.5): 9938.15
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2695.97
ACD/KOC (pH 7.4): 9938.02
Polar Surface Area: 135 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 489.8±5.0 cm3

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