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(1S,4S,5R,6R)-2-Acetoxy-4,5-di-(4-methoxybenzyl)oxy-cyclohex-2-en-1-ol
SpectraBase Compound ID DTJJVKbyVfY
InChI InChI=1S/C24H28O7/c1-16(25)31-23-21(26)12-13-22(29-14-17-4-8-19(27-2)9-5-17)24(23)30-15-18-6-10-20(28-3)11-7-18/h4-13,21-24,26H,14-15H2,1-3H3/t21-,22-,23+,24+/m0/s1
InChIKey WWBVDPXSCOEUSF-CJRSTVEYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C24H28O7
Exact Mass 428.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iL4x5ER6W
Name (1S,4S,5R,6R)-2-Acetoxy-4,5-di-(4-methoxybenzyl)oxy-cyclohex-2-en-1-ol
Alternate Name(s) (3S,4R,6S)-6-hydroxy-3,4-bis[(4-methoxybenzyl)oxy]-1-cyclohexen-1-yl acetate Acetic acid (1R,2S,5S,6R)-2-hydroxy-5,6-bis-(4-methoxy-benzyloxy)-cyclohex-3-enyl ester
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Formula C24H28O7
InChI InChI=1S/C24H28O7/c1-16(25)31-23-21(26)12-13-22(29-14-17-4-8-19(27-2)9-5-17)24(23)30-15-18-6-10-20(28-3)11-7-18/h4-13,21-24,26H,14-15H2,1-3H3/t21-,22-,23+,24+/m0/s1
InChIKey WWBVDPXSCOEUSF-CJRSTVEYSA-N
Molecular Weight 428.481 g/mol
SMILES O[C@]1(C=C[C@@]([C@]([C@@]1(OC(=O)C)[H])(OCc1ccc(cc1)OC)[H])(OCc1ccc(cc1)OC)[H])[H]
SPLASH splash10-00dr-0902000000-486bd89c0a8581a67243
Source of Spectrum F-55-2213-14
Wiley ID 837009