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1,2,4-Benzenetriol, 3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, 1-acetate, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1,2,4-Benzenetriol, 3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, 1-acetate, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID KJ9JNHQjK3U
InChI InChI=1S/C23H32O4/c1-14-7-6-8-20-22(14,4)12-11-15(2)23(20,5)13-17-18(25)9-10-19(21(17)26)27-16(3)24/h7,9-10,15,20,25-26H,6,8,11-13H2,1-5H3/t15-,20+,22+,23+/m0/s1
InChIKey ZTUULPCNZNZEMI-APQCTARYSA-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 4o8XnQ9rPIU
Name 1,2,4-Benzenetriol, 3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, 1-acetate, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
CAS Registry Number 132194-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14-7-6-8-20-22(14,4)12-11-15(2)23(20,5)13-17-18(25)9-10-19(21(17)26)27-16(3)24/h7,9-10,15,20,25-26H,6,8,11-13H2,1-5H3/t15-,20+,22+,23+/m0/s1
InChIKey ZTUULPCNZNZEMI-APQCTARYSA-N
Molecular Weight 372.505 g/mol
SMILES Oc1c(c(c(cc1)OC(=O)C)O)C[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@]1(C)[H])[H])C
SPLASH splash10-0006-0900000000-21990449a50f4c1ef592
Source of Spectrum F-46-7975-3
Synonyms 3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-2,4-dihydroxyphenyl acetate 6'-Hydroxy,5'-acetyl-avarol Acetic acid[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl]ester [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-bis(oxidanyl)phenyl]ethanoate [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl]acetate Acetic acid [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxyphenyl] ester [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxyphenyl] acetate [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-phenyl] acetate [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,4-bis(oxidanyl)phenyl] ethanoate
Wiley ID 1355735