Tigloylgomisin H
[(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate
Also Known As: tigloylgomisin H|Angeloylgomisin H|NP4099|2-Butenoic acid, 2-methyl-, (6S,7S,12aR)-5,6,7,8-tetrahydro-7-hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo(a,C)cycloocten-1-yl ester, (2E)-|[(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate|((9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo(10.4.0.02,7)hexadeca-1(16),2,4,6,12,14-hexaenyl) (E)-2-methylbut-2-enoate|(6S)-5,6,7,8-Tetrahydro-1-(tigloyloxy)-6alpha,7-dimethyl-2,3,10,11,12-pentamethoxydibenzo[a,c]cycloocten-7beta-ol|(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-3-yl (2E)-2-methylbut-2-enoate|(E)-2-Methyl-2-butenoic acid (6S)-7beta-hydroxy-2,3,10,11,12-pentamethoxy-6alpha,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-1-yl ester
| Molecular Formula | C28H36O8 |
|---|---|
| Molecular Weight | 500.24103 g/mol |
| LogP | 4.7539 |
| Topological Polar Surface Area | 92.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.24103 |
| Monoisotopic Mass | 500.24103 |
| Heavy Atoms | 36 |
| Complexity | 1179.0477 |
Chemical Identifiers
| CAS Number | 66056-22-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H]([C@@](CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C |
Product Overview
Tigloylgomisin H (CAS 66056-22-2), with molecular formula C28H36O8 and molecular weight 500.24103 g/mol. IUPAC: [(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate.