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 (67526-95-8)

Identification
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:	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]]-; Azuleno[4,5-b]furan,octanoic acid deriv.; (-)-Thapsigargin; Thapsigargin
CAS:	67526-95-8
Molecular Formula:	C34H50 O12
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
Molecular Structure:
Properties
Transport:	UN 2811 6
Density:	1.23 g/cm³
Refractive index:	1.539
Water Solubility:	DMSO: soluble in water
Solubility:	DMSO: soluble in water
Biological Activity:	Potent inhibitor of sarco-endoplasmic reticulum Ca 2+ -ATPases.
Storage Temperature:	−20°C
Safety Data
Hazard Symbols	Xn: Harmful