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Gracilin A

View entire compound with spectra: 1 MS (GC)

Gracilin A
SpectraBase Compound ID 8eS7H9XIilh
InChI InChI=1S/C23H34O5/c1-7-16-18(23(6)12-8-11-22(4,5)13-23)10-9-17-19(16)21(27-15(3)25)28-20(17)26-14(2)24/h7,10,17,19-21H,8-9,11-13H2,1-6H3/b16-7+
InChIKey APJJJQRQXHYHMQ-FRKPEAEDSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlSveovRjCg
Name Gracilin A
CAS Registry Number 96313-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-7-16-18(23(6)12-8-11-22(4,5)13-23)10-9-17-19(16)21(27-15(3)25)28-20(17)26-14(2)24/h7,10,17,19-21H,8-9,11-13H2,1-6H3/b16-7+
InChIKey APJJJQRQXHYHMQ-FRKPEAEDSA-N
Molecular Weight 390.520 g/mol
SMILES C=1(\C(C2C(OC(C2CC1)OC(=O)C)OC(=O)C)=C/C)C1(CC(C)(C)CCC1)C
SPLASH splash10-002f-9110000000-be8a9a439a48fbf6dcc0
Source of Spectrum B-43-1725-3
Wiley ID 1364981