ChemSpider 2D Image | 9,19-Dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaen-24-yl acetate | C28H18O11

9,19-Dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaen-24-yl acetate

  • Molecular FormulaC28H18O11
  • Average mass530.436 Da
  • Monoisotopic mass530.084900 Da
  • ChemSpider ID2339022

More details:






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

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-3,7,12,14,15(8H,14aH)-pentone, 16-(acetyloxy)-4,11-dihydroxy-6,9-dimethyl- [ACD/Index Name]
9,19-Dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaen-24-yl acetate [ACD/IUPAC Name]
9,19-Dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaen-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 9,19-dihydroxy-11,17-diméthyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaén-24-yle [French] [ACD/IUPAC Name]
7599-61-3 [RN]
7H-8,15b-Methano-1H,3H,12H-benzo(de)cyclohepta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,7,12,14(8H)-tetrone, 16-(acetyloxy)-4,11,15-trihydroxy-6,9-dimethyl-, (8R-(8α,15bα,16S*))-
XENOCLAUXIN

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

Density: 1.8±0.1 g/cm3
Boiling Point: 938.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 321.7±27.8 °C
Index of Refraction: 1.756
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 54.96
ACD/KOC (pH 5.5): 479.32
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 171 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 301.7±5.0 cm3

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