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4-epi-Dehydroabietinol acetate
SpectraBase Compound ID 6NAkX3b2Qk0
InChI InChI=1S/C22H32O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h7,9,13,15,20H,6,8,10-12,14H2,1-5H3/t20-,21+,22+/m1/s1
InChIKey SNKPCSRNBVWIIG-FSSWDIPSSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1454TDO29h
Name 4-epi-Dehydroabietinol acetate
Carrier Gas Helium (54.1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.240230268 u
Formula C22H32O2
GC Column SH-Rxi-5silMS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C22H32O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h7,9,13,15,20H,6,8,10-12,14H2,1-5H3/t20-,21+,22+/m1/s1
InChIKey SNKPCSRNBVWIIG-FSSWDIPSSA-N
Inlet Type Split ratio (50:05)
Instrument Name Shimadzu TQ8050 plus
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300332
Molecular Weight 328.496 g/mol
Quality 666
SMILES C1C[C@@]2([C@@]([C@@](C1)(COC(C)=O)C)(CCC1=C2C=CC(=C1)C(C)C)[H])C
SPLASH splash10-0udi-2790000000-1c3819dcbba937d875a9
Source of Spectrum CBD-20-SM11-11-5 (DOI: 10.1002/cbdv.202300332)
Wiley ID 1909900