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Search term: 27023088 (Found by CSID)
ChemSpider 2D Image | callophycol B | C26H35Br4ClO

callophycol B

  • Molecular FormulaC26H35Br4ClO
  • Average mass718.625 Da
  • Monoisotopic mass713.910950 Da
  • ChemSpider ID27023088

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2,4-Dibrom-6-{[(1R,4aS,5R,6R,8aS)-6-brom-5-(4-brom-3-chlor-4-methylpentyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]methyl}phenol [German] [ACD/IUPAC Name]
2,4-Dibromo-6-{[(1R,4aS,5R,6R,8aS)-6-bromo-5-(4-bromo-3-chloro-4-méthylpentyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]méthyl}phénol [French] [ACD/IUPAC Name]
2,4-Dibromo-6-{[(1R,4aS,5R,6R,8aS)-6-bromo-5-(4-bromo-3-chloro-4-methylpentyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}phenol [ACD/IUPAC Name]
callophycol B
Phenol, 2,4-dibromo-6-[[(1R,4aS,5R,6R,8aS)-6-bromo-5-(4-bromo-3-chloro-4-methylpentyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methyl]- [ACD/Index Name]
2,4-dibromo-6-{[(1R,4aS,5R,6R,8aS)-6-bromo-5-(4-bromo-3-chloro-4-methylpentyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}phenol
  • Miscellaneous

    • Chemical Class:

      A dibromophenol that is 2,4-dibromophenol substituted at position 6 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, 4-bromo-3-chloro-4-methylpentyl group, two methyl groups and a methylidene group at positions 6, 5, 5, 8a and 2 respectively. A diterpenoid isolated from the Fijian red alga <ital>Callophycus serratus</ital>, it exhibits antibacterial, antimalarial and anticancer activities. ChEBI CHEBI:65566
      A dibromophenol that is 2,4-dibromophenol substituted at position 6 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, 4-bromo-3-chloro-4-methylpentyl group, two methyl groups and a methylidene group at positions 6, 5, 5, 8a and 2 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial ; and antican cer activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65566
      A dibromophenol that is 2,4-dibromophenol substituted at position 6 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, 4-bromo-3-chloro-4-methylpentyl group, two methyl groups and a methylidene group at positions 6, 5, 5, 8a and 2 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticance r activities. ChEBI CHEBI:65566

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

Density: 1.6±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 11.39
ACD/LogD (pH 5.5): 10.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

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