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Muricatetrocin C

View entire compound with spectra: 1 MS (GC)

Muricatetrocin C
SpectraBase Compound ID 7Tcz9TFlWT0
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33-,34-/m0/s1
InChIKey YPSCFXUHUJPNHJ-RLWOUWICSA-N
Mol Weight 596.9 g/mol
Molecular Formula C35H64O7
Exact Mass 596.465204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWnJVvFY2WP
Name Muricatetrocin C
Alternate Name(s) (2S)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]-2-oxolanyl]nonyl]-2-methyl-2H-furan-5-one (2S)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one (2S)-2-methyl-4-[(2R)-2-oxidanyl-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-tris(oxidanyl)heptadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H64O7
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33-,34-/m0/s1
InChIKey YPSCFXUHUJPNHJ-RLWOUWICSA-N
Molecular Weight 596.890 g/mol
SMILES O[C@](CCCCCCC[C@]1(O[C@]([C@](CC[C@]([C@@](O)(CCCCCCCCCCCC)[H])(O)[H])(O)[H])(CC1)[H])[H])(CC=1C(O[C@](C1)(C)[H])=O)[H]
SPLASH splash10-0002-0000090000-0083f00fe0d2dc60bb2b
Source of Spectrum QE-8-1635-2
Wiley ID 1557446