ChemSpider 2D Image | (1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-10,12,14,16,20,22-hexamethyl-5-(~13~C)methyl-23,24-dioxatetracyclo[17.3.1.1~6,9~.0~2,7~]tetracosa-2,5,7,14-tetraen-4-one | C2813CH42O6

(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-10,12,14,16,20,22-hexamethyl-5-(13C)methyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one

  • Molecular FormulaC2813CH42O6
  • Average mass487.633 Da
  • Monoisotopic mass487.301483 Da
  • ChemSpider ID8776406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-10,12,14,16,20,22-hexamethyl-5-(13C)methyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-on [German] [ACD/IUPAC Name]
(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-10,12,14,16,20,22-hexamethyl-5-(13C)methyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one [ACD/IUPAC Name]
(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-10,12,14,16,20,22-hexaméthyl-5-(13C)méthyl-23,24-dioxatétracyclo[17.3.1.16,9.02,7]tétracosa-2,5,7,14-tétraén-4-one [French] [ACD/IUPAC Name]
1,19:5,9-Diepoxybenzocyclooctadecen-3(5H)-one, 6,7,8,9,10,11,12,15,16,17,18,19-dodecahydro-4,7,19-trihydroxy-6,8,12,14,16,18-hexamethyl-2-(methyl-13C)-, (5R,6R,7S,8R,9R,12S,16S,18S,19S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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