Found 1 result

Search term: 78442246 (Found by CSID)
ChemSpider 2D Image | (1S,3R,4aS,6aR,9R,12aR,12bS)-1,3-Dihydroxy-4,4,6a,9,12b-pentamethyl-1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodecahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-11-one | C21H32O5

(1S,3R,4aS,6aR,9R,12aR,12bS)-1,3-Dihydroxy-4,4,6a,9,12b-pentamethyl-1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodecahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-11-one

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID78442246

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,4aS,6aR,9R,12aR,12bS)-1,3-Dihydroxy-4,4,6a,9,12b-pentamethyl-1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodecahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-11-on [German] [ACD/IUPAC Name]
(1S,3R,4aS,6aR,9R,12aR,12bS)-1,3-Dihydroxy-4,4,6a,9,12b-pentamethyl-1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodecahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-11-one [ACD/IUPAC Name]
(1S,3R,4aS,6aR,9R,12aR,12bS)-1,3-Dihydroxy-4,4,6a,9,12b-pentaméthyl-1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodécahydro-2H,11H-benzo[f]pyrano[2,3-b]chromén-11-one [French] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-11-one, 1,3,4,4a,5,6,6a,9,10,12,12a,12b-dodecahydro-1,3-dihydroxy-4,4,6a,9,12b-pentamethyl-, (1S,3R,4aS,6aR,9R,12aR,12bS)- [ACD/Index Name]
Talarolutin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 165.4±22.2 °C
Index of Refraction: 1.562
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.86
ACD/KOC (pH 5.5): 651.17
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.86
ACD/KOC (pH 7.4): 651.17
Polar Surface Area: 76 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

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