11,12-Dimethoxy-3a-methyl-14,17-dioxo-1,2,3a,4,14,17-hexahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,15,16-triyl triacetate

Molecular FormulaC₃₅H₂₉NO₁₂
Average mass655.604 Da
Monoisotopic mass655.168945 Da
ChemSpider ID170328

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Names and Synonyms

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

[1]Benzopyrano[2',3':6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinoline-14,17-dione, 8,15,16-tris(acetyloxy)-1,2,3a,4-tetrahydro-11,12-dimethoxy-3a-methyl- [ACD/Index Name]

11,12-Dimethoxy-3a-methyl-14,17-dioxo-1,2,3a,4,14,17-hexahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-8,15,16-triyl-triacetat [German] [ACD/IUPAC Name]

11,12-Dimethoxy-3a-methyl-14,17-dioxo-1,2,3a,4,14,17-hexahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,15,16-triyl triacetate [ACD/IUPAC Name]

Triacétate de 11,12-diméthoxy-3a-méthyl-14,17-dioxo-1,2,3a,4,14,17-hexahydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléine-8,15,16-triyle [French] [ACD/IUPAC Name]

104015-33-0 [RN]

Cervinomycin A1 triacetate

Predicted - ACD/Labs
Predicted - ChemAxon

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

Density:	1.5±0.1 g/cm³
Boiling Point:	876.3±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	127.4±3.0 kJ/mol
Flash Point:	483.8±34.3 °C
Index of Refraction:	1.699
Molar Refractivity:	166.5±0.4 cm³
#H bond acceptors:	13
#H bond donors:	0
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	2

ACD/LogP:	1.52
ACD/LogD (pH 5.5):	2.67
ACD/BCF (pH 5.5):	63.24
ACD/KOC (pH 5.5):	677.30
ACD/LogD (pH 7.4):	2.67
ACD/BCF (pH 7.4):	63.24
ACD/KOC (pH 7.4):	677.30
Polar Surface Area:	153 Å²
Polarizability:	66.0±0.5 10^-24cm³
Surface Tension:	76.1±5.0 dyne/cm
Molar Volume:	431.5±5.0 cm³

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11,12-Dimethoxy-3a-methyl-14,17-dioxo-1,2,3a,4,14,17-hexahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,15,16-triyl triacetate

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