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(1R,2R,3R,4S,6R)-3-O-Acetyl-1,2-di-O-benzyl-6-benzyloxymethyl-4-iodocyclohexane-1,2,3-triol
SpectraBase Compound ID B89Hl7aVfZ9
InChI InChI=1S/C30H33IO5/c1-22(32)36-29-27(31)17-26(21-33-18-23-11-5-2-6-12-23)28(34-19-24-13-7-3-8-14-24)30(29)35-20-25-15-9-4-10-16-25/h2-16,26-30H,17-21H2,1H3/t26-,27+,28-,29+,30-/m1/s1
InChIKey WAIODAKAHQTQGI-APMFGMRCSA-N
Mol Weight 600.5 g/mol
Molecular Formula C30H33IO5
Exact Mass 600.137269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WJpRSyerwD
Name (1R,2R,3R,4S,6R)-3-O-Acetyl-1,2-di-O-benzyl-6-benzyloxymethyl-4-iodocyclohexane-1,2,3-triol
Alternate Name(s) (1R,2R,3R,4R,6S)-2,3-bis(benzyloxy)-4-[(benzyloxy)methyl]-6-iodocyclohexyl acetate Acetic acid (1S,2S,3R,4R,6S)-2,3-bis-benzyloxy-4-benzyloxymethyl-6-iodo-cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33IO5
InChI InChI=1S/C30H33IO5/c1-22(32)36-29-27(31)17-26(21-33-18-23-11-5-2-6-12-23)28(34-19-24-13-7-3-8-14-24)30(29)35-20-25-15-9-4-10-16-25/h2-16,26-30H,17-21H2,1H3/t26-,27+,28-,29+,30-/m1/s1
InChIKey WAIODAKAHQTQGI-APMFGMRCSA-N
Molecular Weight 600.493 g/mol
SMILES [C@]1([C@]([C@@](I)(C[C@@]([C@]1(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])(OC(=O)C)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000610000-c9572731991a9c0c4a7d
Source of Spectrum KC-0-2022-17
Wiley ID 781671