Tetrahydroaplysulphurin-2 [(1R*,1'S*,1"R*,3R*,8S*)-1-acetoxy-4-ethyl-5-(1",3",3",trimethylcyclohexyl)-1,3,5,6,7,8-hexahydroisobenzofuran-1'(4),3-carbolactone]

SpectraBase Compound ID	CirHQLxkO0g
InChI	InChI=1S/C22H32O5/c1-12-16-15(22(5)10-6-9-21(3,4)11-22)8-7-14-17(16)20(26-18(12)24)27-19(14)25-13(2)23/h12,14-15,19-20H,6-11H2,1-5H3/t12-,14-,15+,19-,20-,22+/m1/s1
InChIKey	WJPVZBITVAJOKV-DAAWOKSGSA-N Google Search
Mol Weight	376.5 g/mol
Molecular Formula	C22H32O5
Exact Mass	376.224974 g/mol

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SpectraBase Spectrum ID	tF6XRG7coQ
Name	Tetrahydroaplysulphurin-2 [(1R,1'S,1"R,3R,8S*)-1-acetoxy-4-ethyl-5-(1",3",3",trimethylcyclohexyl)-1,3,5,6,7,8-hexahydroisobenzofuran-1'(4),3-carbolactone]
CAS Registry Number	106009-85-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H32O5
InChI	InChI=1S/C22H32O5/c1-12-16-15(22(5)10-6-9-21(3,4)11-22)8-7-14-17(16)20(26-18(12)24)27-19(14)25-13(2)23/h12,14-15,19-20H,6-11H2,1-5H3/t12-,14-,15+,19-,20-,22+/m1/s1
InChIKey	WJPVZBITVAJOKV-DAAWOKSGSA-N
Molecular Weight	376.493 g/mol
SMILES	C12=C3[C@]([C@@]4(CC(C)(C)CCC4)C)([H])CC[C@]2([C@](OC(=O)C)(O[C@]1(OC(=O)[C@@]3(C)[H])[H])[H])[H]
SPLASH	splash10-054o-9511000000-666d70c159d393830141
Source of Spectrum	B-39-1650-6
Synonyms	furo[4.3.2.-ij]benzopyran-7(2H)-one,2-(acetoxy)-2a,3,4,5,8a,8b-hexahydro-6-methyl-5(1,3,3,-trimewthylcyclohexyl)- [(1R,1'S,1''R,3R,8S,9S)-1-acetoxy-4-ethyl-5-(1'',3'',3'',trimethylcyclohexyl)-1,3,6,7,8,9-hexahydroisobenzofuran-1'(4),3-carbolactone] (2S,2aR,5R,6R,8aS)-6-methyl-7-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-2,2a,3,4,5,6,7,8a-octahydrofuro[4,3,2-ij][2]benzopyran-2-yl acetate Tetrahydroaplysulphurin-2[(1R,1'S,1''R,3R,8S*)-1-acetoxy-4-ethyl-5-(1'',3'',3'',trimethylcyclohexyl)-1,3,5,6,7,8-hexahydroisobenzofuran-1'(4),3-carbolactone]
Wiley ID	1357864