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Search term: KPZHIOQEYKRXQD-KHQVSARKSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR)-12-Hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,8,11(4H)-trione | C33H38N2O5

(1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR)-12-Hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,8,11(4H)-trione

  • Molecular FormulaC33H38N2O5
  • Average mass542.665 Da
  • Monoisotopic mass542.278076 Da
  • ChemSpider ID59696461
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR)-12-Hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7,8,11(4H)-trion [German] [ACD/IUPAC Name]
(1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR)-12-Hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,8,11(4H)-trione [ACD/IUPAC Name]
(1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR)-12-Hydroxy-14-[(1R)-1-(1H-indol-3-yl)éthyl]-4,6,15,15a-tétraméthyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotridéca[d]oxiréno[f]isoindole-7,8,11(4H)-trione [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-7,8,11(4H)-trione, 9,10,14,14a,15,15a,16a,16b-octahydro-12-hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-, (1E,4S,5E,14S,14aR,15S,15aR,16aS,16bR) - [ACD/Index Name]
(7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0??,???.0???,???]henicosa-7,11-diene-2,5,6,21-tetrone
156980-59-5 [RN]
Chaetoglobosin N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.24
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: 112 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 403.3±7.0 cm3

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