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Search term: 24671776 (Found by CSID)
ChemSpider 2D Image | CYTOGLOBOSIN B | C32H38N2O5

CYTOGLOBOSIN B

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID24671776

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,3aR,4S,6S,6aR,7E,10S,11E,13R,14S,15E,17aR)-6,13,14-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylen-3,3a,4,5,6,6a,9,10,13,14-decahydro-1H-cyclotrideca[d]isoindol-1,17(2H)-dion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,11E,13R,14S,15E,17aR)-6,13,14-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-3,3a,4,5,6,6a,9,10,13,14-decahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,11E,13R,14S,15E,17aR)-6,13,14-Trihydroxy-3-(1H-indol-3-ylméthyl)-4,10,12-triméthyl-5-méthylène-3,3a,4,5,6,6a,9,10,13,14-décahydro-1H-cyclotridéca[d]isoindole-1,17(2H)-dione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,17(2H)-dione, 3,3a,4,5,6,6a,9,10,13,14-decahydro-6,13,14-trihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-, (3S,3aR,4S,6S,6aR,7E,10S,11E,13R,14S,15E,17aR)- [ACD/Index Name]
CYTOGLOBOSIN B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 3.54
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: 123 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

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