Found 1 result

Search term: 4952953 (Found by CSID)
ChemSpider 2D Image | (3S,3aR,6S,6aR,7E,10S,11Z,17aR)-6-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,14,17(2H)-tetrone | C32H36N2O5

(3S,3aR,6S,6aR,7E,10S,11Z,17aR)-6-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,14,17(2H)-tetrone

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID4952953

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aR,6S,6aR,7E,10S,11Z,17aR)-6-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindol-1,13,14,17(2H)-tetron [German] [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11Z,17aR)-6-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,14,17(2H)-tetrone [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11Z,17aR)-6-Hydroxy-3-(1H-indol-3-ylméthyl)-4,5,10,12-tétraméthyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotridéca[d]isoindole-1,13,14,17(2H)-tétrone [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,13,14,17(2H)-tetrone, 3,3a,6,6a,9,10,15,16-octahydro-6-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,6S,6aR,7E,10S,11Z,17aR)- [ACD/Index Name]
(13)Cytochalasa-5,13,17-triene-1,19,20,23-tetrone, 7-hydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-, (7S,13E,16S,17E)-
(3S,6S,6AR,10S,17AR,17BR)-6-HYDROXY-3-(1H-INDOL-3-YLMETHYL)-4,5,10,12-TETRAMETHYL-2H,3H,6H,6AH,9H,10H,15H,16H,17BH-CYCLOTRIDECA[E]ISOINDOLE-1,13,14,17-TETRONE
(3S,6S,6AR,10S,17AR,17BR)-6-HYDROXY-3-[(1H-INDOL-3-YL)METHYL]-4,5,10,12-TETRAMETHYL-1H,2H,3H,6H,6AH,9H,10H,13H,14H,15H,16H,17H,17BH-CYCLOTRIDECA[E]ISOINDOLE-1,13,14,17-TETRONE
65773-98-0 [RN]
Chaetoglobosin G
CHAETOGLOBOSING

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

Density: 1.3±0.1 g/cm3
Boiling Point: 807.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.58
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: 116 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 412.3±5.0 cm3

Click to predict properties on the Chemicalize site


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