ChemSpider 2D Image | (1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-Diacetoxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0~1,12~.0~5,7~]hexadec-10-en-9-yl (2R,3R)-2,3-dimethyl-2-oxiranecarboxylate | C30H42O10

(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-Diacetoxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl (2R,3R)-2,3-dimethyl-2-oxiranecarboxylate

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID34249405

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-Diacetoxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl (2R,3R)-2,3-dimethyl-2-oxiranecarboxylate [ACD/IUPAC Name]
(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-Diacetoxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl-(2R,3R)-2,3-dimethyl-2-oxirancarboxylat [German] [ACD/IUPAC Name]
(2R,3R)-2,3-Diméthyl-2-oxiranecarboxylate de (1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-diacétoxy-8-méthoxy-3,6,6,10,14-pentaméthyl-2-oxo-16-oxatétracyclo[10.3.1.01,12.05,7]hexadéc-10-én-9-yle [French] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 2,3-dimethyl-, (1aR,2R,3R,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,7-bis(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-11-methoxy-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopent a[a]cyclopropa[f]cycloundecen-10-yl ester, (2R,3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 252.6±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.21
ACD/KOC (pH 5.5): 2305.87
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.21
ACD/KOC (pH 7.4): 2305.87
Polar Surface Area: 130 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 448.7±5.0 cm3

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