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Search term: 52085358 (Found by CSID)
ChemSpider 2D Image | ANDILESIN A | C25H32O6

ANDILESIN A

  • Molecular FormulaC25H32O6
  • Average mass428.518 Da
  • Monoisotopic mass428.219879 Da
  • ChemSpider ID52085358

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4R,10R,11S,13R,15S,16R,17R,21R)-16-Hydroxy-5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docos-8-en-7,14,18-trion [German] [ACD/IUPAC Name]
(1S,4R,10R,11S,13R,15S,16R,17R,21R)-16-Hydroxy-5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docos-8-ene-7,14,18-trione [ACD/IUPAC Name]
(1S,4R,10R,11S,13R,15S,16R,17R,21R)-16-Hydroxy-5,5,10,13,15-pentaméthyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docos-8-ène-7,14,18-trione [French] [ACD/IUPAC Name]
5,14a-Methano-1H,3H-furo[3',4':4b,5]fluoreno[2,1-c]oxepin-3,6,10(5H)-trione, 3a,4,6a,7,7a,7b,12,12a,13,14-decahydro-4-hydroxy-5,6a,7b,12,12-pentamethyl-, (3aR,4R,5S,6aR,7aS,7bR,12aR,14aS,14bR)- [ACD/Index Name]
60451-43-6 [RN]
ANDILESIN A

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

KR1MLA877F [DBID]
UNII:KR1MLA877F [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 218.0±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.02
ACD/KOC (pH 5.5): 368.49
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.02
ACD/KOC (pH 7.4): 368.49
Polar Surface Area: 90 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 324.0±5.0 cm3

Click to predict properties on the Chemicalize site


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