ChemSpider 2D Image | (1R,3R,5S,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.0~3,5~.0~6,10~]hexadec-13(16)-en-11-yl 3-methyl-2-butenoate | C20H22O7

(1R,3R,5S,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl 3-methyl-2-butenoate

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID23354286

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3R,5S,6S,10R,11S)-3-Methyl-9-methylen-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
(1R,3R,5S,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, (1aS,1bS,4aR,5S,10R,11aR)-1a,1b,3,4,4a,5,6,10,11,11a-decahydro-11a-methyl-4-methylene-3,8-dioxo-8H-10,7-methenofuro[2,3-f]oxireno[d]oxacycloundecin-5-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de (1R,3R,5S,6S,10R,11S)-3-méthyl-9-méthylène-8,14-dioxo-4,7,15-trioxatétracyclo[11.2.1.03,5.06,10]hexadéc-13(16)-én-11-yle [French] [ACD/IUPAC Name]
21899-50-3 [RN]
2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl- 9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester
Germacra-1(10),11(13)-diene-12,14-dioic acid, 4,5α-epoxy-2β,6α,8α-trihydroxy-, 12,6:14,2-dilactone, 3-methylcrotonate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 264.5±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 103.92
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 103.92
Polar Surface Area: 91 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 282.4±5.0 cm3

Click to predict properties on the Chemicalize site


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