| CAS Number | 400091-05-6 |
| Catalog Number | AG003LOD(AGN-PC-0RLFDN) |
| Chemical Name | (4AR,6S,7R,8R,8aS)-8-(allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol |
| IUPAC Name | (4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol |
| InChI | InChI=1S/C23H26O7/c1-3-13-26-21-19(24)23(28-17-11-9-16(25-2)10-12-17)29-18-14-27-22(30-20(18)21)15-7-5-4-6-8-15/h3-12,18-24H,1,13-14H2,2H3/t18-,19-,20+,21-,22?,23-/m1/s1 |
| InChI Key | BALLDQXJTPWKTQ-YYKQMJRKSA-N |
| MDL Number | MFCD00032502 |
| Molecular Formula | C23H26O7 |
| Molecular Weight | 414.4483 |
| SMILES | COc1ccc(O[C@@H]2O[C@@H]3COC(O[C@@H]3[C@H](OCC=C)[C@H]2O)c2ccccc2)cc1 |
| Synonyms | 4-Methoxyphenyl 3-O-allyl-4,6-O-benzylidene-b-D-galactopyranoside,
400091-05-6,
(4AR,6S,7R,8R,8aS)-8-(allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol,
4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-beta-D-galactopyranoside,
W-202649,
4-METHOXYPHENYL3-O-ALLYL-4,6-O-BENZYLIDENE-BETA-D-GALACTOPYRANOSIDE,
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| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.454g/mol |
| Monoisotopic Mass | 414.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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