basic_info |
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Product_Name: | GUAJADIAL |
CAS: | 959860-49-2 |
EnglishSynonyms: | GUAJADIAL |
pro_mdlNumber: | MFCD20260726 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | CC1(C[C@H]2[C@H]1CC[C@@]3([C@@H](CCC2=C)[C@@H](c4c(c(c(c(c4O3)C=O)O)C=O)O)c5ccccc5)C)C |
InChi: | InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4H3/t19-,22-,23+,24+,30-/m1/s1 |
InChiKey: | InChIKey=NSFVENNIBGTQJE-XRXODSDBSA-N |
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