ChemSpider 2D Image | Methyl (1S,3R,6R,6aS,10R,10aS,12bS)-1,3-diacetoxy-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-10-carboxylate | C28H40O10

Methyl (1S,3R,6R,6aS,10R,10aS,12bS)-1,3-diacetoxy-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-10-carboxylate

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID5140741

  • defined stereocentres - 7 of 11 defined stereocentres

More details:

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

(1S,3R,6R,6aS,10R,10aS,12bS)-1,3-Diacétoxy-6-hydroxy-4,4,6a,10a,12b-pentaméthyl-8-oxohexadécahydronaphto[2,1-f]oxiréno[d]isochromène-10-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1S,3R,6R,6aS,10R,10aS,12bS)-1,3-diacetoxy-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-10-carboxylate [ACD/IUPAC Name]
Methyl-(1S,3R,6R,6aS,10R,10aS,12bS)-1,3-diacetoxy-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-10-carboxylat [German] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-10-carboxylic acid, 1,3-bis(acetyloxy)hexadecahydro-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxo-, methyl ester, (1S,3R,6R,6aS,10R,10aS,12bS)- [ACD/Index Name]
DESACETYL (7)KHIVORINIC ACID, METHYL ESTER

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

DivK1c_006268 [DBID]
KBio1_001212 [DBID]
KBio2_001189 [DBID]
KBio2_003757 [DBID]
KBio2_006325 [DBID]
KBio3_001707 [DBID]
KBioGR_001798 [DBID]
KBioSS_001189 [DBID]
SDCCGMLS-0066406.P001 [DBID]
SPBio_000561 [DBID]
More...
  • Miscellaneous

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 194.0±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.12
ACD/KOC (pH 5.5): 844.81
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.12
ACD/KOC (pH 7.4): 844.81
Polar Surface Area: 138 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

Click to predict properties on the Chemicalize site


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