ChemSpider 2D Image | (2R,13S,14S,24R)-5,9,19-Trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetat e | C29H24O11

(2R,13S,14S,24R)-5,9,19-Trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetat e

  • Molecular FormulaC29H24O11
  • Average mass548.494 Da
  • Monoisotopic mass548.131836 Da
  • ChemSpider ID40256708

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,13S,14S,24R)-5,9,19-Trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetat
 e [ACD/IUPAC Name]
(2R,13S,14S,24R)-5,9,19-Trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl-acetat [German] [ACD/IUPAC Name]
7H-8,15b-Methano-1H,3H,12H-pyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de]-2-benzopyran-3,7,12-trione, 16-(acetyloxy)-8,8a,15,15a-tetrahydro-4,11,14-trihydroxy-8a-methoxy-6,9-dimethyl- , (8S,8aS,15aR,16R)- [ACD/Index Name]
Acétate de (2R,13S,14S,24R)-5,9,19-trihydroxy-13-méthoxy-11,17-diméthyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaén-2 4-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 880.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 297.9±27.8 °C
Index of Refraction: 1.734
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 806.63
ACD/KOC (pH 5.5): 4162.09
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 229.77
ACD/KOC (pH 7.4): 1185.60
Polar Surface Area: 166 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 92.5±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement