5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
(3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate
Also Known As: Rhodojaponin V|Rhodojaponin-V|Rhodojaponin V [M+H]+|HY-N2154|5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate|(3,4,10,15-Tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate|Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-acetate, (2-beta,3-beta,6-beta,14R)-|(2|?,3|?,14R)-2,3-Epoxygrayanotoxane-5,6|?,10,14,16-pentol 14-acetate|3,4,10,15-TETRAHYDROXY-5,5,10,15-TETRAMETHYL-7-OXAPENTACYCLO[12.2.1.0(1),(1)(1).0?,?.0?,?]HEPTADECAN-17-YL ACETATE|3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecan-17-yl acetate|Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-acetate, (2.beta.,3.beta.,6.beta.,14R)-
| Molecular Formula | C22H34O7 |
|---|---|
| Molecular Weight | 410.23044 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.23044 |
| Monoisotopic Mass | 410.23044 |
| Heavy Atoms | 29 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 4394-97-2 |
|---|---|
| SMILES | CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)C5C(C4(C)C)O5)O)O)CC2(C)O |
| InChIKey | OHDPFRGZBUACTR-UHFFFAOYSA-N |
Product Overview
5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate (CAS 4394-97-2), with molecular formula C22H34O7 and molecular weight 410.23044 g/mol. IUPAC: (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate.