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4,5-O-Isopropylidene-6-[(2S)-2'-phenylbutyryl]-gabosine F
SpectraBase Compound ID 9wdY0fh4Eb8
InChI InChI=1S/C20H26O5/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/h6-10,12,14-15,17-18H,5,11H2,1-4H3/t12-,14-,15-,17-,18-/m0/s1
InChIKey KLIDBVDZFVNLCJ-ADBDHWBDSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUY5E2Un1yR
Name 4,5-O-Isopropylidene-6-[(2S)-2'-phenylbutyryl]-gabosine F
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/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/h6-10,12,14-15,17-18H,5,11H2,1-4H3/t12-,14-,15-,17-,18-/m0/s1
InChIKey KLIDBVDZFVNLCJ-ADBDHWBDSA-N
Molecular Weight 346.423 g/mol
SMILES [C@@]1([C@@]2([C@@](OC(O2)(C)C)(C[C@@](C1=O)(C)[H])[H])[H])(OC([C@](c1ccccc1)(CC)[H])=O)[H]
SPLASH splash10-00kf-2910000000-c0d6fbdf8ec0fc93d9a6
Source of Spectrum U-1993-249-17
Wiley ID 764939