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NIDRYBLTWYFCFV-FMTVUPSXSA-N

View entire compound with spectra: 1 NMR, and 3 MS (GC)

NIDRYBLTWYFCFV-FMTVUPSXSA-N
SpectraBase Compound ID DtAfuLsocEA
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
InChIKey NIDRYBLTWYFCFV-FMTVUPSXSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r7lqVIc9Y1
Name Calanolide A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
InChIKey NIDRYBLTWYFCFV-FMTVUPSXSA-N
Molecular Weight 370.445 g/mol
SMILES O[C@@]1(c2c(c3C=CC(Oc3c3c2OC(C=C3CCC)=O)(C)C)O[C@@]([C@]1(C)[H])(C)[H])[H]
SPLASH splash10-0a4i-0019000000-99cc983aed2c0c5d215f
Source of Spectrum F2-35-2742-1
Wiley ID 1574147