TL;DR: Angeloylisogomisin O (CAS 140461-47-8) is a chemical compound with molecular formula C28H34O8 and molecular weight 498.22537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) (Z)-2-methylbut-2-enoate
Also Known As: Angeloylisogomisin O, Heteroclitin B, 1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8-yl (2Z)-2-methyl-2-butenoate #, 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2Z)-2-methylbut-2-enoate, 5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-8-(angeloyloxy)benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole
| Molecular Formula | C28H34O8 |
| Molecular Weight | 498.22537 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.22537 Da |
| Heavy Atoms | 36 |
| Complexity | 786.0 |
| SMILES | C/C=C(/C)\C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)C)C |
| InChIKey | PZUDCPSZWPLXKT-ZROIWOOFSA-N |
The XLogP value of 5.8 indicates that Angeloylisogomisin O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Angeloylisogomisin O. Following Lipinski's Rule of Five, Angeloylisogomisin O has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Angeloylisogomisin O is 140461-47-8.
The molecular formula of Angeloylisogomisin O is C28H34O8.
The molecular weight of Angeloylisogomisin O is 498.22537 g/mol.
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