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2-Cyclohexen-1-one, 4-[2,6-bis(acetyloxy)-4-pentylphenyl]-2-methyl-5-(1-methylethenyl)-, (4R-trans)-
SpectraBase Compound ID 1Fl3dCAoNz7
InChI InChI=1S/C25H32O5/c1-7-8-9-10-19-12-23(29-17(5)26)25(24(13-19)30-18(6)27)21-11-16(4)22(28)14-20(21)15(2)3/h11-13,20-21H,2,7-10,14H2,1,3-6H3/t20-,21+/m0/s1
InChIKey TWYITGYWPROVEG-LEWJYISDSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90ihvxQIg0f
Name 2-Cyclohexen-1-one, 4-[2,6-bis(acetyloxy)-4-pentylphenyl]-2-methyl-5-(1-methylethenyl)-, (4R-trans)-
CAS Registry Number 57361-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-7-8-9-10-19-12-23(29-17(5)26)25(24(13-19)30-18(6)27)21-11-16(4)22(28)14-20(21)15(2)3/h11-13,20-21H,2,7-10,14H2,1,3-6H3/t20-,21+/m0/s1
InChIKey TWYITGYWPROVEG-LEWJYISDSA-N
Molecular Weight 412.526 g/mol
SMILES [C@]1(c2c(OC(=O)C)cc(cc2OC(=O)C)CCCCC)(C=C(C)C(C[C@]1(C(=C)C)[H])=O)[H]
SPLASH splash10-0it9-0049100000-b6b0d253a01c0cb9a0b3
Source of Spectrum KC-1976-14-0
Synonyms 3-(acetyloxy)-2-[(1R,6R)-6-isopropenyl-3-methyl-4-oxo-2-cyclohexen-1-yl]-5-pentylphenyl acetate 6-Oxocannabidiol diacetate
Wiley ID 1374542