TL;DR: Sterigmatocystin (CAS 10048-13-2) is a chemical compound with molecular formula C18H12O6 and molecular weight 324.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one
Also Known As: STERIGMATOCYSTIN, Sterigmatocystine, Sterigmacocystin, Sterigmatocystine (Standard), EINECS 233-158-6
| Molecular Formula | C18H12O6 |
| Molecular Weight | 324.0634 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0634 Da |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
| SMILES | COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O |
| InChIKey | UTSVPXMQSFGQTM-DCXZOGHSSA-N |
The XLogP value of 3.4 indicates that Sterigmatocystin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Sterigmatocystin. Following Lipinski's Rule of Five, Sterigmatocystin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sterigmatocystin is 10048-13-2.
The molecular formula of Sterigmatocystin is C18H12O6.
The molecular weight of Sterigmatocystin is 324.0634 g/mol.
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