Found 1 result

Search term: HNFPPWVGLWDXQQ-FJPSVTAHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R,4bR,5R,8R,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8-diyl diacetate | C30H40O7

(1R,4bR,5R,8R,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8-diyl diacetate

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID5140668

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1R,4bR,5R,8R,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5,8-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,4bR,5R,8R,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8-diyl diacetate [ACD/IUPAC Name]
3H-Phenanthro[2,1-c]pyran-3-one, 5,8-bis(acetyloxy)-1-(3-furanyl)-1,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4b,7,7,10a,12a-pentamethyl-, (1R,4bR,5R,8R,10aS,12aR)- [ACD/Index Name]
Diacétate de (1R,4bR,5R,8R,10aS,12aR)-1-(3-furyl)-4b,7,7,10a,12a-pentaméthyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tétradécahydro-1H-naphto[2,1-f]isochromène-5,8-diyle [French] [ACD/IUPAC Name]
3α-ACETOXYDIHYDRODEOXYGEDUNIN

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

DivK1c_006111 [DBID]
KBio1_001055 [DBID]
KBio2_001174 [DBID]
KBio2_003742 [DBID]
KBio2_006310 [DBID]
KBio3_000983 [DBID]
KBioGR_001827 [DBID]
KBioSS_001174 [DBID]
SPBio_000078 [DBID]
SpecPlus_000015 [DBID]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18382.93
ACD/KOC (pH 5.5): 39269.44
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18382.93
ACD/KOC (pH 7.4): 39269.44
Polar Surface Area: 92 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

Click to predict properties on the Chemicalize site


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