Valtrates (combination)
TL;DR: Valtrates (combination) (CAS 78769-65-0) is a chemical compound with molecular formula C68H94O26 and molecular weight 1326.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aS,6S,7aS)-6-acetyloxyspiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methyl-5-(3-methylbutanoyloxy)pentanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Also Known As: Isovaltratum, Valmane, Valtrates (combination), valepotriates (combination), [(1S,4aS,6S,7aS)-6-acetyloxyspiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methyl-5-(3-methylbutanoyloxy)pentanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
| Molecular Formula | C68H94O26 |
|---|---|
| Molecular Weight | 1326.60 g/mol |
| LogP | 7.7519 |
| Topological Polar Surface Area | 328.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Exact Mass | 1326.6034 |
| Heavy Atoms | 94 |
| Complexity | 2966.9387 |
Chemical Identifiers
| CAS Number | 78769-65-0 |
|---|---|
| SMILES | CC(C)CC(=O)OCCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C23CO3)OC(=O)C)C=CO1.CC(C)CC(=O)O[C@H]1C=C2[C@@H](C13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C.CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H](C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
Product Overview
Valtrates (combination) (CAS 78769-65-0), with molecular formula C68H94O26 and molecular weight 1326.60 g/mol. IUPAC: [(1S,4aS,6S,7aS)-6-acetyloxyspiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methyl-5-(3-methylbutanoyloxy)pentanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate;[(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate.
Chemical Property Profile of Valtrates (combination)
Property Insights of Valtrates (combination)
The XLogP value of 7.7519 indicates that Valtrates (combination) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 328.28 Ų indicates high polarity, suggesting Valtrates (combination) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valtrates (combination) has 0 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valtrates (combination)?
The CAS number of Valtrates (combination) is 78769-65-0.
What is the molecular formula of Valtrates (combination)?
The molecular formula of Valtrates (combination) is C68H94O26.
What is the molecular weight of Valtrates (combination)?
The molecular weight of Valtrates (combination) is 1326.60 g/mol.
Where can I buy Valtrates (combination)?
You can request a quote for Valtrates (combination) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valtrates (combination)?
Yes, KEHONG BIO provides custom synthesis services for Valtrates (combination) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.