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Search term: 81131470 (Found by CSID)
ChemSpider 2D Image | verruculosin A | C32H28O12

verruculosin A

  • Molecular FormulaC32H28O12
  • Average mass604.557 Da
  • Monoisotopic mass604.158081 Da
  • ChemSpider ID81131470

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R,13S,14S,22R,24S,28S)-8,18,24-Trihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.011,29.019,27.022,26]nonacosa-1(26),7(29),8,10, 15(27),16,18-heptaen-28-yl acetate [ACD/IUPAC Name]
(2S,3R,13S,14S,22R,24S,28S)-8,18,24-Trihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.011,29.019,27.022,26]nonacosa-1(26),7(29),8,10, 15(27),16,18-heptaen-28-yl-acetat [German] [ACD/IUPAC Name]
16H-9,16a-Methano-5H,10H,14H-benzo[de][2]benzopyrano[4',5':3,4,5]cyclohepta[1,2-g]pyrano[2,3,4-ij][2]benzopyran-5,10,14-trione, 17-(acetyloxy)-2,3,3a,8b,9,16b-hexahydro-2,6,13-trihydroxy-8b-methoxy-2, 8,11-trimethyl-, (2S,3aR,8bS,9S,16aR,16bS,17S)- [ACD/Index Name]
Acétate de (2S,3R,13S,14S,22R,24S,28S)-8,18,24-trihydroxy-14-méthoxy-10,16,24-triméthyl-6,12,20-trioxo-5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.011,29.019,27.022,26]nonacosa-1(26),
 7(29),8,10,15(27),16,18-heptaén-28-yle [French] [ACD/IUPAC Name]
verruculosin A

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1208.28
ACD/KOC (pH 5.5): 5566.21
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 422.10
ACD/KOC (pH 7.4): 1944.47
Polar Surface Area: 175 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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