ChemSpider 2D Image | (1R,2R,13S,14S,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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 ac etate | C29H22O11

(1R,2R,13S,14S,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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 ac etate

  • Molecular FormulaC29H22O11
  • Average mass546.478 Da
  • Monoisotopic mass546.116211 Da
  • ChemSpider ID8657974

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,13S,14S,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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 ac etate [ACD/IUPAC Name]
(1R,2R,13S,14S,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-ac etat [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-3,7,12,15(8H)-tetrone, 16-(acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-, (8 S,8aS,15aR,15bR,16R)- [ACD/Index Name]
Acétate de (1R,2R,13S,14S,24R)-9,19-dihydroxy-13-méthoxy-11,17-diméthyl-3,7,15,21-tétraoxo-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-hepta én-24-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: 891.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 302.2±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 644.34
ACD/KOC (pH 5.5): 3465.48
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 51.62
ACD/KOC (pH 7.4): 277.61
Polar Surface Area: 163 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 89.9±5.0 dyne/cm
Molar Volume: 327.5±5.0 cm3

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