ChemSpider 2D Image | (3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione | C32H36N2O5

(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID4944492
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylen-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindol-1,14,17-trion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylméthyl)-4,10,12-triméthyl-5-méthylène-2,3,3a,4,5,6,6a,9,10,13-décahydro-1H-cyclotridéca[d]isoindole-1,14,17-trione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,14,17-trione, 2,3,3a,4,5,6,6a,9,10,13-decahydro-6,13-dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-, (3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)- [ACD/Index Name]
(3S,4S,6S,6AR,10S,13R,17AR,17BR)-6,13-DIHYDROXY-3-(1H-INDOL-3-YLMETHYL)-4,10,12-TRIMETHYL-5-METHYLIDENE-2H,3H,4H,6H,6AH,9H,10H,13H,17BH-CYCLOTRIDECA[E]ISOINDOLE-1,14,17-TRIONE
(3S,4S,6S,6AR,10S,13R,17AR,17BR)-6,13-DIHYDROXY-3-[(1H-INDOL-3-YL)METHYL]-4,10,12-TRIMETHYL-5-METHYLIDENE-1H,2H,3H,4H,5H,6H,6AH,9H,10H,13H,14H,17H,17BH-CYCLOTRIDECA[E]ISOINDOLE-1,14,17-TRIONE
55945-73-8 [RN]
Chaetoglobosin D
CHAETOGLOBOSIND

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

Density: 1.3±0.1 g/cm3
Boiling Point: 820.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.27
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: 119 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 409.4±5.0 cm3

Click to predict properties on the Chemicalize site






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