ChemSpider 2D Image | (7'R,12'R,14'R,16'S,17'R,20'Z,22'E)-28'-Hydroxy-24'-(1-hydroxyethyl)-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.1~14,17~.0~1,3~.0~7,12~.0~7,16~]nonacosa[10,20,22]triene]-4',19'-dione | C29H36O10

(7'R,12'R,14'R,16'S,17'R,20'Z,22'E)-28'-Hydroxy-24'-(1-hydroxyethyl)-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa[10,20,22]triene]-4',19'-dione

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID10204342
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 11 defined stereocentres


More details:






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

(6E,8Z,12R,12aS,14R,15aR,19aR)-24-hydroxy-5-(1-hydroxyethyl)-12a,17-dimethyl-2,3,12,12a,18,19-hexahydro-14H,15aH-spiro[1a,5:12,14-dimethanooxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d]chromene-13,2'-oxirane]-10,22(5H,22aH)-dione
(7'R,12'R,14'R,16'S,17'R,20'Z,22'E)-28'-Hydroxy-24'-(1-hydroxyethyl)-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa[10,20 ; ,22]triene]-4',19'-dione [ACD/IUPAC Name]
(7'R,12'R,14'R,16'S,17'R,20'Z,22'E)-28'-Hydroxy-24'-(1-hydroxyethyl)-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa[10,20,22]triene]-4',19'-dione
53126-63-9 [RN]
satratoxin G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 807.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 268.6±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.89
ACD/KOC (pH 5.5): 138.58
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 138.58
Polar Surface Area: 137 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 381.2±5.0 cm3

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