Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | (3E,6R)-6-Hydroxy-2-methyl-5-oxo-6-[(1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)-2,6a,8,9-tetrahydroxy-10-(hydroxymethyl)-3a,6,6,13b,15a-pentamethyl-14-oxo-2,3,3a,3b,4,6,6a,7a,9,10,11a,1 2a,13,13a,13b,14,15,15a-octadecahydro-1H,8H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-1-yl]-3-hepten-2-yl acetate | C38H56O13

(3E,6R)-6-Hydroxy-2-methyl-5-oxo-6-[(1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)-2,6a,8,9-tetrahydroxy-10-(hydroxymethyl)-3a,6,6,13b,15a-pentamethyl-14-oxo-2,3,3a,3b,4,6,6a,7a,9,10,11a,1 2a,13,13a,13b,14,15,15a-octadecahydro-1H,8H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-1-yl]-3-hepten-2-yl acetate

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID9620370

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3E,6R)-6-Hydroxy-2-methyl-5-oxo-6-[(1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)-2,6a,8,9-tetrahydroxy-10-(hydroxymethyl)-3a,6,6,13b,15a-pentamethyl-14-oxo-2,3,3a,3b,4,6,6a,7a,9,10,11a,1 2a,13,13a,13b,14,15,15a-octadecahydro-1H,8H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-1-yl]-3-hepten-2-yl acetate [ACD/IUPAC Name]
(3E,6R)-6-Hydroxy-2-methyl-5-oxo-6-[(1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)-2,6a,8,9-tetrahydroxy-10-(hydroxymethyl)-3a,6,6,13b,15a-pentamethyl-14-oxo-2,3,3a,3b,4,6,6a,7a,9,10,11a,1 2a,13,13a,13b,14,15,15a-octadecahydro-1H,8H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-1-yl]-3-hepten-2-yl-acetat [German] [ACD/IUPAC Name]
8H,14H-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one, 1-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-1,2,3,3a,3b,4,6,6a,7a,9,10,11a,12a,13,13a,13b,15,15a-octadec ahydro-2,6a,8,9-tetrahydroxy-10-(hydroxymethyl)-3a,6,6,13b,15a-pentamethyl-, (1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)- [ACD/Index Name]
Acétate de (3E,6R)-6-hydroxy-2-méthyl-5-oxo-6-[(1R,2R,3aS,3bS,6aS,7aR,8S,9S,10R,11aS,12aS,13aR,13bR,15aR)-2,6a,8,9-tétrahydroxy-10-(hydroxyméthyl)-3a,6,6,13b,15a-pentaméthyl-14-oxo-2,3,3a,3b,4,6,6a,7a ,9,10,11a,12a,13,13a,13b,14,15,15a-octadécahydro-1H,8H-cyclopenta[7,8]phénanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-1-yl]-3-heptén-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 865.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.0±6.0 kJ/mol
Flash Point: 262.2±27.8 °C
Index of Refraction: 1.605
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.15
ACD/KOC (pH 5.5): 1696.76
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.13
ACD/KOC (pH 7.4): 1696.66
Polar Surface Area: 210 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 527.8±5.0 cm3

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