ChemSpider 2D Image | (1S,3R,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate | C28H38O8

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

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID5140778

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(1S,3R,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate [ACD/IUPAC Name]
(1S,3R,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,3R,6R,6aS,6bR,7aS,10S,10aS,12bS)-10-(3-furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentaméthyl-8-oxohexadécahydronaphto[2,1-f]oxiréno[d]isochromén-6-yle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-8(7aH)-one, 6-(acetyloxy)-10-(3-furanyl)tetradecahydro-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyl-, (1S,3R,6R,6aS,6bR,7aS,10S,10aS,12bS)- [ACD/Index Name]
1,3-DIDEACETYLKHIVORIN

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

DivK1c_006353 [DBID]
KBio1_001297 [DBID]
KBio2_000995 [DBID]
KBio2_003563 [DBID]
KBio2_006131 [DBID]
KBio3_001117 [DBID]
KBioGR_001624 [DBID]
KBioSS_000995 [DBID]
SPBio_000762 [DBID]
SpecPlus_000257 [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: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.44
ACD/KOC (pH 5.5): 624.32
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.44
ACD/KOC (pH 7.4): 624.32
Polar Surface Area: 119 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

Click to predict properties on the Chemicalize site


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