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Aculeatin B
SpectraBase Compound ID 6xIwmdr40zY
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
InChIKey UAFRNLHPKTXIOW-UHFFFAOYSA-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 EINC6quT1Tk
Name Aculeatin B
Alternate Name(s) (6S)-4-Hydroxy-2..tridecyl-1,7-dioxa-dispiro[5.1.5.2]pentadeca-9,12-11-one
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
InChIKey UAFRNLHPKTXIOW-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES OC1CC2(OC3(C=CC(C=C3)=O)CC2)OC(CCCCCCCCCCCCC)C1
SPLASH splash10-066r-0900000000-f7280c5a73c075b3e67a
Source of Spectrum H-83-2944-2
Wiley ID 847312