Home > Name List By o > Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[...

CAS No 67526-95-8 , Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester

  • Name: Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester
  • Synonyms: Azuleno[4,5-b]furan,octanoic acid deriv.;Octanoicacid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester (9CI); Octanoic acid,6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester, [3S-[3a,3ab,4a,6b,6ab,7b,8a(Z),9ba]]-;Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester; (-)-Thapsigargin; Thapsigargin;
  • CAS Registry Number:
  • Transport: UN 2811 6
  • Density: 1.23 g/cm3
  • Refractive index: 1.539
  • Water Solubility: DMSO: soluble in water
  • Safety Statements: 26-36/37/39
  • Hazard Symbols: Xn: Harmful;
  • Molecular Weight: 650.7536
  • InChI: InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
  • Risk Statements: 36/37/38-42
  • Molecular Formula: C34H50 O12
  • Molecular Structure:CAS No:67526-95-8 Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester

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References of Octanoic acid,(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-ylester
Title: Thapsigargin
CAS Registry Number: 67526-95-8
CAS Name: Octanoic acid [3S-[3a,3ab,4a,6b,6ab,7b,8a(Z),9ba]]-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester
Synonyms: thapsigargine; Tg
Molecular Formula: C34H50O12
Molecular Weight: 650.75
Percent Composition: C 62.75%, H 7.74%, O 29.50%
Literature References: Sesquiterpene lactone which inhibits intracellular Ca2+ transport ATPases. Isolated from the root of Thapsia garganica L., Apiaceae, traditionally used as a counter-irritant: U. Rasmussen et al., Acta Pharm. Suec. 15, 133 (1978). Structure elucidation: S. B. Christensen et al., Tetrahedron Lett. 21, 3829 (1980); stereochemistry from x-ray analysis: idem et al., J. Org. Chem. 47, 649 (1982). Absolute configuration: S. B. Christensen, E. Norup, Tetrahedron Lett. 26, 107 (1985). Inhibition of ATPases: J. Lytton et al., J. Biol. Chem. 266, 17067 (1991). Effect on gene expression: K. D. Rodland et al., Mol. Endocrinol. 11, 281 (1997). Review of mechanism of action: G. Inesi, Y. Sagara, Arch. Biochem. Biophys. 298, 313-317 (1992). Review of use as molecular probe: O. Thastrup et al., Agents Actions 27, 17-23 (1989); T. B. Rogers et al., Biosci. Rep. 15, 341-349 (1995).
Properties: Colorless amorphous powder.
Use: Reagent for defining and manipulating intracellular calcium pools.