ChemSpider 2D Image | C30 botryococcene | C30H50

C30 botryococcene

  • Molecular FormulaC30H50
  • Average mass410.718 Da
  • Monoisotopic mass410.391266 Da
  • ChemSpider ID28533304

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6E,10S,11E,13R,16E)-2,6,10,13,17,21-Hexamethyl-10-vinyl-2,6,11,16,20-docosapentaen [German] [ACD/IUPAC Name]
(6E,10S,11E,13R,16E)-2,6,10,13,17,21-Hexamethyl-10-vinyl-2,6,11,16,20-docosapentaene [ACD/IUPAC Name]
(6E,10S,11E,13R,16E)-2,6,10,13,17,21-Hexaméthyl-10-vinyl-2,6,11,16,20-docosapentaène [French] [ACD/IUPAC Name]
2,6,11,16,20-Docosapentaene, 10-ethenyl-2,6,10,13,17,21-hexamethyl-, (6E,10S,11E,13R,16E)- [ACD/Index Name]
C30 botryococcene
(10S,13R)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,5,11,16,20-pentaene
(10S,13R)-C30 botryococcene
(6E,10S,11E,13R,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
(6E,10S,11E,13R,16E)-2,6,10,13,17,21-hexamethyl-10-vinyldocosa-2,6,11,16,20-pentaene
  • Miscellaneous

    • Chemical Class:

      A triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with <ital>all-E</ital>-configurat ion). ChEBI CHEBI:70786
      A triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with all-E-configurat; ion). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70786
      A triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with all-E-configuration). ChEBI CHEBI:70786

    • Compound Source:

      botryococcenes and methylated squalene biosynthesis PlantCyc CPD-10662
      Linum usitatissimum PlantCyc CPD-10662

    • Bio Activity:

      C30 botryococcene + NADP+ + diphosphate <- presqualene diphosphate + NADPH + H+ PlantCyc CPD-10662
      S-adenosyl-L-methionine + C30 botryococcene -> showacene + S-adenosyl-L-homocysteine + H+ PlantCyc CPD-10662

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

Density: 0.8±0.1 g/cm3
Boiling Point: 484.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 72.2±0.8 kJ/mol
Flash Point: 248.9±22.2 °C
Index of Refraction: 1.489
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 13.28
ACD/LogD (pH 5.5): 11.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 486.5±3.0 cm3

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