Found 1 result

Search term: 23076806 (Found by CSID)
ChemSpider 2D Image | metachromin T | C23H32O4

metachromin T

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID23076806

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-6,8-Dimethoxy-2-methyl-2-[2-[(1R,2S)-1,2,3-trimethyl-3-cyclohexen-1-yl]ethyl]-2H-1-benzopyran-5-ol
(2S)-6,8-Dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethyl-3-cyclohexen-1-yl]ethyl}-2H-chromen-5-ol [German] [ACD/IUPAC Name]
(2S)-6,8-Dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethyl-3-cyclohexen-1-yl]ethyl}-2H-chromen-5-ol [ACD/IUPAC Name]
(2S)-6,8-Diméthoxy-2-méthyl-2-{2-[(1R,2S)-1,2,3-triméthyl-3-cyclohexén-1-yl]éthyl}-2H-chromén-5-ol [French] [ACD/IUPAC Name]
1007859-01-9 [RN]
2H-1-Benzopyran-5-ol, 6,8-dimethoxy-2-methyl-2-[2-[(1R,2S)-1,2,3-trimethyl-3-cyclohexen-1-yl]ethyl]-, (2S)- [ACD/Index Name]
metachromin T
(2SS)-6,8-dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]ethyl}-2H-chromen-5-ol
  • Miscellaneous

    • Chemical Class:

      A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2<element>H</element>-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohe x-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge <ital>Spongia</ital> sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells. ChEBI CHEBI:66696
      A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohe; x-3-en-1-yl]methy l group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66696
      A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells. ChEBI CHEBI:66696

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

Density: 1.0±0.1 g/cm3
Boiling Point: 485.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 247.1±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81014.39
ACD/KOC (pH 5.5): 113533.81
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80833.67
ACD/KOC (pH 7.4): 113280.55
Polar Surface Area: 48 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 355.2±3.0 cm3

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