Found 1 result

Search term: 30771467 (Found by CSID)
ChemSpider 2D Image | (3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one | C27H34O7

(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one

  • Molecular FormulaC27H34O7
  • Average mass470.555 Da
  • Monoisotopic mass470.230438 Da
  • ChemSpider ID30771467

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-on [German] [ACD/IUPAC Name]
(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one [ACD/IUPAC Name]
(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-méthoxyphényl)-4,4,6a,12b-tétraméthyl-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[4,3-b]chromén-11-one [French] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-3,4a,12a-trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-, (3R,4aR,6aR,12aS,12bS)- [ACD/Index Name]
arigsugacin I
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4461886/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 213.4±25.0 °C
Index of Refraction: 1.626
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.32
ACD/KOC (pH 5.5): 1445.13
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.32
ACD/KOC (pH 7.4): 1445.12
Polar Surface Area: 105 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 352.7±5.0 cm3

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