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(1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1-[2',6'-dihydroxy-5'-acetoxybenzyl]-1,4,5,6,7,8,9,10-octahydronaphthalene

View entire compound with spectra: 2 MS (GC)

(1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1-[2',6'-dihydroxy-5'-acetoxybenzyl]-1,4,5,6,7,8,9,10-octahydronaphthalene
SpectraBase Compound ID 7NpE6EAjM1e
InChI InChI=1S/C23H32O4/c1-14-7-10-20-22(3,4)11-6-12-23(20,5)17(14)13-16-18(25)8-9-19(21(16)26)27-15(2)24/h7-9,17,20,25-26H,6,10-13H2,1-5H3/t17-,20-,23+/m0/s1
InChIKey LISRCGYCVNHXKP-KPDCDPCYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PpLPjc3iTA
Name (1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1-[2',6'-dihydroxy-5'-acetoxybenzyl]-1,4,5,6,7,8,9,10-octahydronaphthalene
Alternate Name(s) 20-O-acetyl-21-hydroxy-(ent)-isozonarol 2,5,5-Trimethyl-1-[2',6'-dihydroxy-5'-acetoxybenzyl]-1,4,5,6,7,8,9,10-octahydronaphthalene 3-Acetoxy-1-[2',5',5',6'-tetramethyl-1',4',5',6',7',8',9',10'-octahydronapthalenyl)methyl]-2,6-dihydroxybenzene 3-{[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methyl}-2,4-dihydroxyphenyl acetate Acetic acid[3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl]ester Acetic acid [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxyphenyl] ester [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-bis(oxidanyl)phenyl]ethanoate [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxyphenyl] acetate [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl]acetate [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl] acetate [3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4-bis(oxidanyl)phenyl] ethanoate
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Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14-7-10-20-22(3,4)11-6-12-23(20,5)17(14)13-16-18(25)8-9-19(21(16)26)27-15(2)24/h7-9,17,20,25-26H,6,10-13H2,1-5H3/t17-,20-,23+/m0/s1
InChIKey LISRCGYCVNHXKP-KPDCDPCYSA-N
Molecular Weight 372.505 g/mol
SMILES Oc1c(c(c(cc1)OC(=O)C)O)C[C@@]1([C@@]2([C@@](CC=C1C)(C(CCC2)(C)C)[H])C)[H]
SPLASH splash10-0a4u-0901000000-3ddc4dce5903b94a1aa0
Source of Spectrum X2-68-656-2
Wiley ID 1609538