ChemSpider 2D Image | (1beta,11alpha,12alpha,15beta)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2E)-2-undecenoate | C31H42O9

(1β,11α,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2E)-2-undecenoate

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID4945361

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,11α,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2E)-2-undecenoate [ACD/IUPAC Name]
(1β,11α,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl-(2E)-2-undecenoat [German] [ACD/IUPAC Name]
(2E)-2-Undécénoate de (1β,11α,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicrasa-3,13(21)-dién-15-yle [French] [ACD/IUPAC Name]
2-Undecenoic acid, (1β,11α,12α,15β)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicrasa-3,13(21)-dien-15-yl ester, (2E)- [ACD/Index Name]
(1S,4R,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-TRIHYDROXY-14,18-DIMETHYL-6-METHYLIDENE-9,16-DIOXO-3,10-DIOXAPENTACYCLO[9.8.0.0–,?.0?,–?.0–,–?]NONADEC-14-EN-8-YL (2E)-UNDEC-2-ENOATE
11,20-Epoxy-1,11,12-trihydroxy-15-(2-undecenoyl)oxypicras-3,13(21)-diene-2,16-dione
87790-39-4 [RN]
Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-((1-oxo-2-undecenyl)oxy)-, (1β,11β,12α,15β(E))-

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

Sun 0237 [DBID]
Sun-0237 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 235.1±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 524.76
ACD/KOC (pH 5.5): 3080.01
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 524.70
ACD/KOC (pH 7.4): 3079.65
Polar Surface Area: 140 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 428.7±5.0 cm3

Click to predict properties on the Chemicalize site


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