TL;DR: Versicolactone D (CAS 126770-37-4) is a chemical compound with molecular formula C30H42O3 and molecular weight 450.3134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E,10E,19Z)-7,11,19-trimethyl-16-propan-2-yl-24,26-dioxapentacyclo[13.7.2.12,13.13,13.01,14]hexacosa-3(25),6,10,19-tetraen-23-one
Also Known As: Versicolactone D, (6E,10E,19Z)-7,11,19-Trimethyl-16-propan-2-yl-24,26-dioxapentacyclo[13.7.2.12,13.13,13.01,14]hexacosa-3(25),6,10,19-tetraen-23-one, 2H,9H,11H-9,20-Epoxy-1,8a-(epoxymethano)-20,10-methenocyclodecacyclotetradecen-23-one, 1,3,4,7,8,12,15,16,19,20a-decahydro-5,14,18-trimethyl-2-(1-methylethyl)-, (1R*,2S*,5E,8aS*,9R*,13E,17E,20S*,20aS*)-
| Molecular Formula | C30H42O3 |
| Molecular Weight | 450.3134 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.3134 Da |
| Heavy Atoms | 33 |
| Complexity | 934.0 |
| SMILES | C/C/1=C\CCC2=CC3(C/C(=C/CC1)/C)C4C5C(CC/C(=C\CCC4(C2O3)C(=O)O5)/C)C(C)C |
| InChIKey | RHFOIVCXBQDVCO-ZUITVLSZSA-N |
The XLogP value of 5.3 indicates that Versicolactone D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Versicolactone D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Versicolactone D has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Versicolactone D is 126770-37-4.
The molecular formula of Versicolactone D is C30H42O3.
The molecular weight of Versicolactone D is 450.3134 g/mol.
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