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Aculeatin A

View entire compound with spectra: 2 MS (GC)

Aculeatin A
SpectraBase Compound ID 3XUfAsRVpmt
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-20-23(28)21-26(29-24)19-18-25(30-26)16-14-22(27)15-17-25/h14-17,23-24,28H,2-13,18-21H2,1H3/t23-,24?,26+/m1/s1
InChIKey UAFRNLHPKTXIOW-ONEXVHNNSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xpT55EJkJ2
Name Aculeatin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-20-23(28)21-26(29-24)19-18-25(30-26)16-14-22(27)15-17-25/h14-17,23-24,28H,2-13,18-21H2,1H3/t23-,24?,26+/m1/s1
InChIKey UAFRNLHPKTXIOW-ONEXVHNNSA-N
Molecular Weight 418.618 g/mol
SMILES O[C@]1(C[C@]2(OC3(C=CC(C=C3)=O)CC2)OC(CCCCCCCCCCCCC)C1)[H]
SPLASH splash10-0a4i-0900000000-3ed02d930b0b399b5f89
Source of Spectrum H-83-2944-1
Wiley ID 847313