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(+)-(1'S,4'R)-5-(4'-ACETOXY-1'-HYDROXY-2',6',6'-TRIMETHYLCYCLOHEX-2'-ENYL)-3-METHYLPENTA-2',4'-DIENOIC-ACID-METHYLESTER
SpectraBase Compound ID BYdtz9HmW0X
InChI InChI=1S/C18H26O5/c1-12(9-16(20)22-6)7-8-18(21)13(2)10-15(23-14(3)19)11-17(18,4)5/h7-10,15,21H,11H2,1-6H3/b8-7+,12-9+/t15-,18+/m0/s1
InChIKey PQROZPQDSFZIOX-UGFZNYSMSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsU4omx7YW6
Name (2E,4E)-5-[(1S,4R)-4-acetoxy-1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid methyl ester
CAS Registry Number 130856-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-12(9-16(20)22-6)7-8-18(21)13(2)10-15(23-14(3)19)11-17(18,4)5/h7-10,15,21H,11H2,1-6H3/b8-7+,12-9+/t15-,18+/m0/s1
InChIKey PQROZPQDSFZIOX-UGFZNYSMSA-N
Molecular Weight 322.401 g/mol
SMILES O[C@@]1(C(=C[C@@](CC1(C)C)(OC(=O)C)[H])C)\C=C\C(=C\C(=O)OC)C
SPLASH splash10-05fs-0940000000-e43a03c8bba9b5380ae3
Source of Spectrum H-73-1012-12
Synonyms (2E,4E)-5-[(1S,4R)-4-acetyloxy-1-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid methyl ester Methyl (2E,4E)-5-[(1S,4R)-4-acetoxy-1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoate Methyl (2E,4E)-5-[(1S,4R)-4-acetyloxy-1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate Methyl (2E,4E)-5-[(1S,4R)-4-acetyloxy-2,6,6-trimethyl-1-oxidanyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoate
Wiley ID 1321710