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1-Phenylvinyl N-normonylmonate

View entire compound with spectra: 1 MS (GC)

1-Phenylvinyl N-normonylmonate
SpectraBase Compound ID IAnceXPKEOc
InChI InChI=1S/C25H34O7/c1-14(11-22(27)31-17(4)18-8-6-5-7-9-18)10-20-24(29)23(28)19(13-30-20)12-21-25(32-21)15(2)16(3)26/h5-9,11,15-16,19-21,23-26,28-29H,4,10,12-13H2,1-3H3/b14-11+/t15-,16-,19-,20-,21-,23+,24-,25-/m0/s1
InChIKey QNOGMOAOKXBYFM-ISEHTEHISA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgqRrXN3fG4
Name 1-Phenylvinyl N-normonylmonate
Alternate Name(s) (E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoicacid 1-phenyl-vinyl ester 1-Phenylethenyl (2E)-4-[(2S,3R,4R)-3,4-dihydroxy-5-{[(2S,3S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoate (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-2-butenoic acid 1-phenylethenyl ester 1-Phenylethenyl (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoate 1-Phenylvinyl (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoate 1-Phenylethenyl (E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoate
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Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-14(11-22(27)31-17(4)18-8-6-5-7-9-18)10-20-24(29)23(28)19(13-30-20)12-21-25(32-21)15(2)16(3)26/h5-9,11,15-16,19-21,23-26,28-29H,4,10,12-13H2,1-3H3/b14-11+/t15-,16-,19-,20-,21-,23+,24-,25-/m0/s1
InChIKey QNOGMOAOKXBYFM-ISEHTEHISA-N
Molecular Weight 446.540 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(OC(c1ccccc1)=C)=O)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-01ox-9720000000-b6579ef4a4ecdadce9ff
Source of Spectrum KC-0-2663-1
Wiley ID 782304