SpectraBase Compound ID | 5CIrO8mBIes |
---|---|
InChI | InChI=1S/C23H28O6/c1-23(2)28-11-15-7-14-9-21(27-4)19(25)10-16(14)22(17(15)12-29-23)13-5-6-18(24)20(8-13)26-3/h5-6,8-10,15,17,22,24-25H,7,11-12H2,1-4H3/t15-,17-,22-/m0/s1/i1D3,2D3 |
InChIKey | SNCSNQKSYHFYSD-JVEZCOAYSA-N |
Mol Weight | 406.51 g/mol |
Molecular Formula | C23H22D6O6 |
Exact Mass | 406.226249 g/mol |
SpectraBase Spectrum ID | LkN1bdYsFCB |
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Name | Isolariciresinol-[(hexadeuterio)diketal] |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C23H22D6O6 |
InChI | InChI=1S/C23H28O6/c1-23(2)28-11-15-7-14-9-21(27-4)19(25)10-16(14)22(17(15)12-29-23)13-5-6-18(24)20(8-13)26-3/h5-6,8-10,15,17,22,24-25H,7,11-12H2,1-4H3/t15-,17-,22-/m0/s1/i1D3,2D3 |
InChIKey | SNCSNQKSYHFYSD-JVEZCOAYSA-N |
Molecular Weight | 406.508 g/mol |
SMILES | Oc1cc2[C@](c3ccc(c(c3)OC)O)([C@]3(COC(OC[C@@]3(Cc2cc1OC)[H])(C([D])([D])[D])C([D])([D])[D])[H])[H] |
SPLASH | splash10-0550-2900300000-66b21a6ececc9ecb38b5 |
Source of Spectrum | B-51-1109-18 |
Wiley ID | 746062 |