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MYCAPEROXIDE-B
SpectraBase Compound ID J9lbdfiS0c7
InChI InChI=1S/C24H42O5/c1-16-8-9-19-21(3,4)11-7-12-23(19,6)24(16,27)15-14-22(5)13-10-18(28-29-22)17(2)20(25)26/h16-19,27H,7-15H2,1-6H3,(H,25,26)/t16-,17+,18+,19+,22+,23+,24-/m1/s1
InChIKey HFPXYDFQVINJBV-DEBKUUBJSA-N
Mol Weight 410.6 g/mol
Molecular Formula C24H42O5
Exact Mass 410.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zehFPCv4K
Name (2S)-2-[6-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-6-methyl-3-dioxanyl]propanoic acid
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Formula C24H42O5
InChI InChI=1S/C24H42O5/c1-16-8-9-19-21(3,4)11-7-12-23(19,6)24(16,27)15-14-22(5)13-10-18(28-29-22)17(2)20(25)26/h16-19,27H,7-15H2,1-6H3,(H,25,26)/t16-,17+,18+,19+,22+,23+,24-/m1/s1
InChIKey HFPXYDFQVINJBV-DEBKUUBJSA-N
Molecular Weight 410.595 g/mol
SMILES OC([C@]([C@]1(OO[C@](CC[C@@]2([C@@]3([C@](C(C)(C)CCC3)(CC[C@]2(C)[H])[H])C)O)(CC1)C)[H])(C)[H])=O
SPLASH splash10-014l-9020000000-484d995557a248950d12
Source of Spectrum J-58-3001-3
Synonyms (2S)-2-[6-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoic acid (2S)-2-[6-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid (2S)-2-[6-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-6-methyl-dioxan-3-yl]propionic acid (2S)-2-[6-[2-[(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-oxidanyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-6-methyl-1,2-dioxan-3-yl]propanoic acid
Wiley ID 1373747