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55902-93-7, Mebenoside,
CAS:55902-93-7
C28H32O6 / 464.55
CAS Number | 55902-93-7 |
Product Name | Mebenoside |
IUPAC Name | (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol |
Molecular Formula | C28H32O6 |
Molecular Weight | 464.55 g/mol |
InChI | InChI=1S/C28H32O6/c1-30-28-25(29)27(33-19-23-15-9-4-10-16-23)26(34-28)24(32-18-22-13-7-3-8-14-22)20-31-17-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25-,26-,27-,28?/m1/s1 |
InChI Key | MYVXMYUGQJQBIV-OYDXEKDZSA-N |
SMILES | COC1C(C(C(O1)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O |
Canonical SMILES | COC1C(C(C(O1)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O |
Isomeric SMILES | COC1[C@@H]([C@H]([C@H](O1)[C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O |
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