ChemSpider 2D Image | Baccharis oxide | C30H50O

Baccharis oxide

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID26333105

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-Hexamethyl-7-(4-methyl-3-penten-1-yl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadecan [German] [ACD/IUPAC Name]
(1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-Hexamethyl-7-(4-methyl-3-penten-1-yl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadecane [ACD/IUPAC Name]
(1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-Hexaméthyl-7-(4-méthyl-3-pentén-1-yl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadécane [French] [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-Hexadecahydro-1,1,4b,6a,8,10a-hexamethyl-8-(4-methyl-3-penten-1-yl)-2H-2,4a-epoxychrysene
2H-2,4a-Epoxychrysene, hexadecahydro-1,1,4b,6a,8,10a-hexamethyl-8-(4-methyl-3-penten-1-yl)-, (2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)- [ACD/Index Name]
35060-26-5 [RN]
Baccharis oxide
(2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-1,1,4b,6a,8,10a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydro-2H-2,4a-epoxychrysene
baccharis oxideaccharis oxide
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4b<stereo>beta</stereo>, 6a<stereo>alpha</stereo>, 8<stereo>beta</stereo> and 10a<stereo>be ta</stereo> positions, by a 4-methylpent-3-enyl group at the 8<stereo>alpha</stereo> position, and with a <stereo>beta</stereo>-oxygen bridge between the 2 and the 4a positions. ChEBI CHEBI:63463
      A pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bbeta, 6aalpha, 8beta and 10abe; ta positions, by a 4-methylpent-3-enyl group at the 8alph a position, and with a beta-oxygen bridge between the 2 and the 4a positions. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63463
      A pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bbeta, 6aalpha, 8beta and 10abeta positions, by a 4-methylpent-3-enyl group at the 8alpha position, and with a beta-oxygen bridge between the 2 and the 4a positions. ChEBI CHEBI:63463

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

Density: 1.0±0.1 g/cm3
Boiling Point: 479.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 232.4±18.1 °C
Index of Refraction: 1.528
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 9.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5250302.50
ACD/LogD (pH 7.4): 9.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5250302.50
Polar Surface Area: 9 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

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