Guavin B
(11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
Also Known As: Guavin B|(11R,12R,13S)-13-(4-Benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione|(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, cyclic 4',6'-ester with (4-beta-D-glucopyranosyloxy)-2,6-(dihydroxyphenyl)phenylmethanone, stereoisomer|(13S,14R,15R)-13-(4-Benzoyl-3,5-dihydroxyphenoxy)-2,3,4,5,6,7,14,15-octahydroxy-11,11a,13,14,15,15a-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione|13-(4-Benzoyl-3,5-dihydroxyphenoxy)-2,3,4,5,6,7,14,15-octahydroxy-11,11a,13,14,15,15a-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione
| Molecular Formula | C33H26O17 |
|---|---|
| Molecular Weight | 694.117 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 694.117 |
| Monoisotopic Mass | 694.117 |
| Heavy Atoms | 50 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 94530-90-2 |
|---|---|
| SMILES | C1C2C([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)C4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| InChIKey | RPZNIDVYYGUDPA-JRFUOTGDSA-N |
Product Overview
Guavin B (CAS 94530-90-2), with molecular formula C33H26O17 and molecular weight 694.117 g/mol. IUPAC: (11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione.