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(+)-(6S,7R)-6,7-Bis[(S)-O-acetylmandeloxy]-1-iodo-5,6,7,8-tetrahydronaphthalene

View entire compound with spectra: 1 MS (GC)

(+)-(6S,7R)-6,7-Bis[(S)-O-acetylmandeloxy]-1-iodo-5,6,7,8-tetrahydronaphthalene
SpectraBase Compound ID Io9UnvcybXg
InChI InChI=1S/C30H27IO8/c1-18(32)36-27(20-10-5-3-6-11-20)29(34)38-25-16-22-14-9-15-24(31)23(22)17-26(25)39-30(35)28(37-19(2)33)21-12-7-4-8-13-21/h3-15,25-28H,16-17H2,1-2H3/t25-,26+,27-,28-/m0/s1
InChIKey ALJQLQFVVRSRSY-PUHABZHSSA-N
Mol Weight 642.44 g/mol
Molecular Formula C30H27IO8
Exact Mass 642.075063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFXKbtf8X2Z
Name (+)-(6S,7R)-6,7-Bis[(S)-O-acetylmandeloxy]-1-iodo-5,6,7,8-tetrahydronaphthalene
Alternate Name(s) (2R,3S)-3-{[(2S)-2-(acetyloxy)-2-phenylethanoyl]oxy}-8-iodo-1,2,3,4-tetrahydro-2-naphthalenyl (2S)-(acetyloxy)(phenyl)ethanoate
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Formula C30H27IO8
InChI InChI=1S/C30H27IO8/c1-18(32)36-27(20-10-5-3-6-11-20)29(34)38-25-16-22-14-9-15-24(31)23(22)17-26(25)39-30(35)28(37-19(2)33)21-12-7-4-8-13-21/h3-15,25-28H,16-17H2,1-2H3/t25-,26+,27-,28-/m0/s1
InChIKey ALJQLQFVVRSRSY-PUHABZHSSA-N
Molecular Weight 642.442 g/mol
SMILES C(O[C@@]1(Cc2c(I)cccc2C[C@@]1(OC([C@@](OC(=O)C)(c1ccccc1)[H])=O)[H])[H])([C@@](OC(=O)C)(c1ccccc1)[H])=O
SPLASH splash10-000i-9553000000-dc0d1fcfce00502e3419
Source of Spectrum KD-15-877-6
Wiley ID 1636868