ChemSpider 2D Image | (3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl acetate | C30H37NO6

(3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl acetate

  • Molecular FormulaC30H37NO6
  • Average mass507.618 Da
  • Monoisotopic mass507.262085 Da
  • ChemSpider ID21248059

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl acetate [ACD/IUPAC Name]
(3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl-acetat [German] [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl acetate [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl-acetat [German] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,6,6a,9,10,12,15-octahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)- [ACD/Index Name]
1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,6,6a,9,10,12,15-octahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)- [ACD/Index Name]
Acétate de (3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-benzyl-6,12-dihydroxy-4,5,10,12-tétraméthyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-décahydro-1H-cycloundéca[d]isoindol-15-yle [French] [ACD/IUPAC Name]
Acétate de (3S,3aR,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-benzyl-6,12-dihydroxy-4,5,10,12-tétraméthyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-décahydro-1H-cycloundéca[d]isoindol-15-yle [French] [ACD/IUPAC Name]
(6S,6AR,10S,12R,15R,15AR,15BR)-3-BENZYL-6,12-DIHYDROXY-4,5,10,12-TETRAMETHYL-1,11-DIOXO-1H,2H,3H,6H,6AH,9H,10H,11H,12H,15H,15BH-CYCLOUNDECA[E]ISOINDOL-15-YL ACETATE
(6S,6AR,10S,12R,15R,15AR,15BR)-3-BENZYL-6,12-DIHYDROXY-4,5,10,12-TETRAMETHYL-1,11-DIOXO-2H,3H,6H,6AH,9H,10H,15H,15BH-CYCLOUNDECA[E]ISOINDOL-15-YL ACETATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.80
ACD/KOC (pH 5.5): 1044.24
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.79
ACD/KOC (pH 7.4): 1044.21
Polar Surface Area: 113 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

Click to predict properties on the Chemicalize site


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