ChemSpider 2D Image | TIGLOYLGOMISIN O | C28H34O8

TIGLOYLGOMISIN O

  • Molecular FormulaC28H34O8
  • Average mass498.565 Da
  • Monoisotopic mass498.225372 Da
  • ChemSpider ID52084591

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (5R,6S,7S)-1,2,3,13-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
(5R,6S,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(5R,6S,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
130855-74-2 [RN]
2-Butenoic acid, 2-methyl-, (5R,6S,7S)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2E)- [ACD/Index Name]
TIGLOYLGOMISIN O
[(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate

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

48F9D29682 [DBID]
UNII:48F9D29682 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 257.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3536.39
ACD/KOC (pH 5.5): 12068.50
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3536.39
ACD/KOC (pH 7.4): 12068.50
Polar Surface Area: 82 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 403.3±5.0 cm3

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