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

View entire compound with spectra: 1 MS (GC)

(-)-(6R,7S)-6,7-Bis[(R)-O-acetylmandeloxy]-1-iodo-5,6,7,8-tetrahydronaphthalene
SpectraBase Compound ID ERzDjEvfGu7
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-/m1/s1
InChIKey ALJQLQFVVRSRSY-JUDWXZBOSA-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 CjantFlWWA8
Name (-)-(6R,7S)-6,7-Bis[(R)-O-acetylmandeloxy]-1-iodo-5,6,7,8-tetrahydronaphthalene
Alternate Name(s) (2R,3S)-3-{[(2R)-2-(acetyloxy)-2-phenylethanoyl]oxy}-5-iodo-1,2,3,4-tetrahydro-2-naphthalenyl (2R)-(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-/m1/s1
InChIKey ALJQLQFVVRSRSY-JUDWXZBOSA-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 splash10-004i-3900000000-3389dd2923fa2602b52a
Source of Spectrum KD-15-876-6
Wiley ID 1636877