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3,5-Di-epi-compactin

View entire compound with spectra: 1 MS (GC)

3,5-Di-epi-compactin
SpectraBase Compound ID FrNwDbmvmWg
InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17-,18-,19-,20-,22-/m0/s1
InChIKey AJLFOPYRIVGYMJ-NBENHSBMSA-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 DsCjaf3SR2X
Name 3,5-Di-epi-compactin
Alternate Name(s) (1S,7S,8S,8aR)-8-{2-[(2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate (2S)-2-methylbutanoic acid[(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]ester (2S)-2-methylbutyric acid[(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]ester [(1S,7S,8S,8aR)-7-methyl-8-[2-[(2S,4S)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl](2S)-2-methylbutanoate [(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl](2S)-2-methylbutanoate [(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl](2S)-2-methylbutanoate (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester [(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate [(1S,7S,8S,8aR)-8-[2-[(2S,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate [(1S,7S,8S,8aR)-7-methyl-8-[2-[(2S,4S)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
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Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17-,18-,19-,20-,22-/m0/s1
InChIKey AJLFOPYRIVGYMJ-NBENHSBMSA-N
Molecular Weight 390.520 g/mol
SMILES O[C@@]1(CC(O[C@@](CC[C@@]2([C@]3([C@@](OC(=O)[C@](CC)(C)[H])(CCC=C3C=C[C@@]2(C)[H])[H])[H])[H])(C1)[H])=O)[H]
SPLASH splash10-0537-1900000000-a9becd3defdb6e434c71
Source of Spectrum KC-0-782-47
Wiley ID 783393