ChemSpider 2D Image | (1S,3R,6aR,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-6,8-dioxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-1,3-diyl diacetate | C30H38O9

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

  • Molecular FormulaC30H38O9
  • Average mass542.617 Da
  • Monoisotopic mass542.251587 Da
  • ChemSpider ID5140680

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1S,3R,6aR,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-6,8-dioxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3R,6aR,6bR,7aS,10S,10aS,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-6,8-dioxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-1,3-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1S,3R,6aR,6bR,7aS,10S,10aS,12bS)-10-(3-furyl)-4,4,6a,10a,12b-pentaméthyl-6,8-dioxohexadécahydronaphto[2,1-f]oxiréno[d]isochromène-1,3-diyle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-6,8(2H,7aH)-dione, 1,3-bis(acetyloxy)-10-(3-furanyl)dodecahydro-4,4,6a,10a,12b-pentamethyl-, (1S,3R,6aR,6bR,7aS,10S,10aS,12bS)- [ACD/Index Name]
15004-51-0 [RN]
7-DEACETOXY-7-OXOKHIVORIN

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

DivK1c_006147 [DBID]
KBio1_001091 [DBID]
KBio2_001012 [DBID]
KBio2_003580 [DBID]
KBio2_006148 [DBID]
KBio3_000751 [DBID]
KBioGR_001671 [DBID]
KBioSS_001012 [DBID]
SDCCGMLS-0066357.P001 [DBID]
SPBio_000313 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 488.09
ACD/KOC (pH 5.5): 2924.35
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 488.09
ACD/KOC (pH 7.4): 2924.35
Polar Surface Area: 122 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 418.8±5.0 cm3

Click to predict properties on the Chemicalize site


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