TL;DR: Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)- (CAS 145038-59-1) is a chemical compound with molecular formula C24H32O7 and molecular weight 432.2148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(14-acetyloxy-4,8,12-trimethyl-16-methylidene-17-oxo-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-10-yl) acetate
Also Known As: Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)-
| Molecular Formula | C24H32O7 |
| Molecular Weight | 432.2148 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.2148 Da |
| Heavy Atoms | 31 |
| Complexity | 839.0 |
| SMILES | CC1=CCCC2(C(O2)C3C(C(CC(=CC(C1)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O3)C |
| InChIKey | DDEPKAPBAYWQPV-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)-. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)-. Following Lipinski's Rule of Five, Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)- is 145038-59-1.
The molecular formula of Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)- is C24H32O7.
The molecular weight of Oxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one, 7,11-bis(acetylo xy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,9-dimethyl-12-methylene- , (1aR*,4E,7S*,8E,11S*,11aR*,14aR*,14bS*)-(+)- is 432.2148 g/mol.
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