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4,5-O-Isopropylidene-6-[(2RS)-2'-phenylbutyryl]-gabosine A
SpectraBase Compound ID 1nP2uhN0pyR
InChI InChI=1S/C20H24O5/c1-5-14(13-9-7-6-8-10-13)19(22)23-18-16(21)12(2)11-15-17(18)25-20(3,4)24-15/h6-11,14-15,17-18H,5H2,1-4H3/t14?,15-,17-,18-/m1/s1
InChIKey WZHNHIVSCONLTD-LTHFWQGNSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74qIR5FQZ4a
Name 4,5-O-Isopropylidene-6-[(2RS)-2'-phenylbutyryl]-gabosine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-5-14(13-9-7-6-8-10-13)19(22)23-18-16(21)12(2)11-15-17(18)25-20(3,4)24-15/h6-11,14-15,17-18H,5H2,1-4H3/t14?,15-,17-,18-/m1/s1
InChIKey WZHNHIVSCONLTD-LTHFWQGNSA-N
Molecular Weight 344.407 g/mol
SMILES [C@]1([C@]2([C@](OC(O2)(C)C)(C=C(C1=O)C)[H])[H])(OC(C(c1ccccc1)CC)=O)[H]
SPLASH splash10-014l-4900000000-0a23243df0f9c88e2401
Source of Spectrum U-1993-248-13
Wiley ID 764943