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(1S,8aS)-3-Acetoxyglycerol 2,5,5,8a-Tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate
SpectraBase Compound ID JvNVWlCwm5b
InChI InChI=1S/C20H32O5/c1-13-7-8-16-19(3,4)9-6-10-20(16,5)17(13)18(23)25-12-15(22)11-24-14(2)21/h7,15-17,22H,6,8-12H2,1-5H3/t15?,16?,17-,20+/m1/s1
InChIKey MMLLQMKYAANYJZ-CVVKJMNTSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiF9T02IsO0
Name (1S,8aS)-3-Acetoxyglycerol 2,5,5,8a-Tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-13-7-8-16-19(3,4)9-6-10-20(16,5)17(13)18(23)25-12-15(22)11-24-14(2)21/h7,15-17,22H,6,8-12H2,1-5H3/t15?,16?,17-,20+/m1/s1
InChIKey MMLLQMKYAANYJZ-CVVKJMNTSA-N
Molecular Weight 352.471 g/mol
SMILES OC(COC([C@@]1([C@@]2(C(CC=C1C)C(C)(C)CCC2)C)[H])=O)COC(=O)C
SPLASH splash10-06fs-0930000000-da57dae3c93370bc6119
Source of Spectrum QC-10-1270-2
Synonyms 3-(acetyloxy)-2-hydroxypropyl (1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate 3-Acetoxyglycerol 2,5,5,8a-Tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate
Wiley ID 871294