35S-Methylokadaic acid 7-hexadecanoate
TL;DR: 35S-Methylokadaic acid 7-hexadecanoate (CAS 97564-96-0) is a chemical compound with molecular formula C61H100O14 and molecular weight 1056.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
Also Known As: 7-o-palmitoyldinophysistoxin 1, 35S-Methylokadaic acid 7-hexadecanoate, 3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid, 3-[4-[(E)-4-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hexadecanoyloxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-hydroxy-2-methylpropanoic acid, 3-{8-[(3E)-4-[6'-(3-{3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-1-hydroxybutyl)-8'-hydroxy-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-(hexadecanoyloxy)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-hydroxy-2-methylpropanoic acid
| Molecular Formula | C61H100O14 |
|---|---|
| Molecular Weight | 1056.71 g/mol |
| LogP | 11.4918 |
| Topological Polar Surface Area | 188.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Exact Mass | 1056.7113 |
| Heavy Atoms | 75 |
| Complexity | 1902.7886 |
Chemical Identifiers
| CAS Number | 97564-96-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1CCC(OC12C=C(CC(O2)C(C)/C=C/C3CCC4(O3)CCC5C(O4)C(C(=C)C(O5)C(CC(C)C6C(CCC7(O6)C(CCCO7)C)C)O)O)C)CC(C)(C(=O)O)O |
Product Overview
35S-Methylokadaic acid 7-hexadecanoate (CAS 97564-96-0), with molecular formula C61H100O14 and molecular weight 1056.71 g/mol. IUPAC: 3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid.
Chemical Property Profile of 35S-Methylokadaic acid 7-hexadecanoate
Property Insights of 35S-Methylokadaic acid 7-hexadecanoate
The XLogP value of 11.4918 indicates that 35S-Methylokadaic acid 7-hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.9 Ų indicates high polarity, suggesting 35S-Methylokadaic acid 7-hexadecanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 35S-Methylokadaic acid 7-hexadecanoate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 35S-Methylokadaic acid 7-hexadecanoate?
The CAS number of 35S-Methylokadaic acid 7-hexadecanoate is 97564-96-0.
What is the molecular formula of 35S-Methylokadaic acid 7-hexadecanoate?
The molecular formula of 35S-Methylokadaic acid 7-hexadecanoate is C61H100O14.
What is the molecular weight of 35S-Methylokadaic acid 7-hexadecanoate?
The molecular weight of 35S-Methylokadaic acid 7-hexadecanoate is 1056.71 g/mol.
Where can I buy 35S-Methylokadaic acid 7-hexadecanoate?
You can request a quote for 35S-Methylokadaic acid 7-hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 35S-Methylokadaic acid 7-hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 35S-Methylokadaic acid 7-hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.