ChemSpider 2D Image | (3S,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-3,6-diyl diacetate | C30H40O8

(3S,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-3,6-diyl diacetate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID5140660

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3S,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3S,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-3,6-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3S,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-furyl)-4,4,6a,10a,12b-pentaméthyl-8-oxohexadécahydronaphto[2,1-f]oxiréno[d]isochromène-3,6-diyle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-8(7aH)-one, 3,6-bis(acetyloxy)-10-(3-furanyl)tetradecahydro-4,4,6a,10a,12b-pentamethyl-, (3S,6R,6aS,6bR,7aS,10S,10aS,12bS)- [ACD/Index Name]
3β-ACETOXYDEOXODIHYDROGEDUNIN

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

DivK1c_006102 [DBID]
KBio1_001046 [DBID]
KBio2_001069 [DBID]
KBio2_003637 [DBID]
KBio2_006205 [DBID]
KBio3_000742 [DBID]
KBioGR_001678 [DBID]
KBioSS_001069 [DBID]
SPBio_000403 [DBID]
SpecPlus_000006 [DBID]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2580.23
ACD/KOC (pH 5.5): 9630.77
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2580.23
ACD/KOC (pH 7.4): 9630.77
Polar Surface Area: 105 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 422.0±5.0 cm3

Click to predict properties on the Chemicalize site


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