Didemnaketal B
TL;DR: Didemnaketal B (CAS 135257-48-6) is a chemical compound with molecular formula C53H88O15 and molecular weight 964.6123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-7-acetyloxy-11-[(2R,4S,6R)-2-[(E)-1-hydroxy-8-methoxy-2,6-dimethyl-8-oxooct-2-enyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,6,10-trimethyl-8,11-bis(3-methylbutanoyloxy)-5-(2-oxobutoxy)undec-2-enoate
Also Known As: Didemnaketal B, 2-Undecenoic acid, 7-(acetyloxy)-11-(8-(1-hydroxy-8-methoxy-2,6-dimethyl-8-oxo-2-octenyl)-4,10-dimethyl-1,7-dioxaspiro(5.5)-undec-2-yl)-2,6,10-trimethyl-8,11-bis(3-methyl-1-oxobutoxy)-5-(1-oxopropoxy)-, methyl ester, methyl (E)-7-acetyloxy-11-[(2R,4S,6R)-2-[(E)-1-hydroxy-8-methoxy-2,6-dimethyl-8-oxooct-2-enyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,6,10-trimethyl-8,11-bis(3-methylbutanoyloxy)-5-(2-oxobutoxy)undec-2-enoate, 2-Undecenoic acid, 7-(acetyloxy)-11-[8-(1-hydroxy-8-methoxy-2,6-dimethyl-8-oxo-2-octenyl)-4,10-dimethyl-1,7-dioxaspiro[5.5]-undec-2-yl]-2,6,10-trimethyl-8,11-bis(3-methyl-1-oxobutoxy)-5-(1-oxopropoxy)-, methyl ester, methyl (E)-7-acetoxy-11-[(6R,8S,10R)-10-[(E)-1-hydroxy-8-methoxy-2,6-dimethyl-8-oxo-oct-2-enyl]-2,8-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl]-2,6,10-trimethyl-8,11-bis(3-methylbutanoyloxy)-5-(2-oxobutoxy)undec-2-enoate
Technical Specifications
| Molecular Formula | C53H88O15 |
| Molecular Weight | 964.6123 g/mol |
| XLogP | 10.0 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Exact Mass | 964.6123 Da |
| Heavy Atoms | 68 |
| Complexity | 1690.0 |
| SMILES | CCC(=O)COC(C/C=C(\C)/C(=O)OC)C(C)C(C(CC(C)C(C1CC(C[C@]2(O1)C[C@H](C[C@@H](O2)C(/C(=C/CCC(C)CC(=O)OC)/C)O)C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)C |
| InChIKey | QGBBOZXSQTVDPO-KUCZHDBWSA-N |
Chemical Property Profile of Didemnaketal B
Property Insights of Didemnaketal B
The XLogP value of 10.0 indicates that Didemnaketal B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Didemnaketal B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Didemnaketal B has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Didemnaketal B?
The CAS number of Didemnaketal B is 135257-48-6.
What is the molecular formula of Didemnaketal B?
The molecular formula of Didemnaketal B is C53H88O15.
What is the molecular weight of Didemnaketal B?
The molecular weight of Didemnaketal B is 964.6123 g/mol.
Where can I buy Didemnaketal B?
You can request a quote for Didemnaketal B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Didemnaketal B?
Yes, CoreyChem provides custom synthesis services for Didemnaketal B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.