TL;DR: Gomisin-B (CAS 1181216-84-1) is a chemical compound with molecular formula C28H34O9 and molecular weight 514.2203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-hydroxy-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-8-yl) (E)-2-methylbut-2-enoate
Also Known As: Schisantherin B, Gomisin-B, Arisanschinin L, Schisantherin C, Schizantherin B [M+H]+
| Molecular Formula | C28H34O9 |
| Molecular Weight | 514.2203 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.2203 Da |
| Heavy Atoms | 37 |
| Complexity | 832.0 |
| SMILES | C/C=C(\C)/C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC |
| InChIKey | BKGUPIVDQHHVMV-NTEUORMPSA-N |
The XLogP value of 4.6 indicates that Gomisin-B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gomisin-B. Following Lipinski's Rule of Five, Gomisin-B has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Gomisin-B is 1181216-84-1.
The molecular formula of Gomisin-B is C28H34O9.
The molecular weight of Gomisin-B is 514.2203 g/mol.
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