Anthrylmethyl okadaate
TL;DR: Anthrylmethyl okadaate (CAS 157606-35-4) is a chemical compound with molecular formula C59H78O13 and molecular weight 994.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anthracen-9-ylmethyl 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate
Also Known As: ANTHRYLMETHYL OKADAATE, anthryl methyl ester, Okadaic acid, anthryl methyl ester, anthracen-9-ylmethyl 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate, anthracen-9-ylmethyl 2-hydroxy-3-[7-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-methylpropanoate
| Molecular Formula | C59H78O13 |
|---|---|
| Molecular Weight | 994.54 g/mol |
| LogP | 9.1788 |
| Topological Polar Surface Area | 171.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 994.54425 |
| Heavy Atoms | 72 |
| Complexity | 2441.924 |
Chemical Identifiers
| CAS Number | 157606-35-4 |
|---|---|
| SMILES | CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OCC8=C9C=CC=CC9=CC1=CC=CC=C18)O)O)C)O)O |
Product Overview
Anthrylmethyl okadaate (CAS 157606-35-4), with molecular formula C59H78O13 and molecular weight 994.54 g/mol. IUPAC: anthracen-9-ylmethyl 2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoate.
Chemical Property Profile of Anthrylmethyl okadaate
Property Insights of Anthrylmethyl okadaate
The XLogP value of 9.1788 indicates that Anthrylmethyl okadaate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.83 Ų indicates high polarity, suggesting Anthrylmethyl okadaate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthrylmethyl okadaate 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 Anthrylmethyl okadaate?
The CAS number of Anthrylmethyl okadaate is 157606-35-4.
What is the molecular formula of Anthrylmethyl okadaate?
The molecular formula of Anthrylmethyl okadaate is C59H78O13.
What is the molecular weight of Anthrylmethyl okadaate?
The molecular weight of Anthrylmethyl okadaate is 994.54 g/mol.
Where can I buy Anthrylmethyl okadaate?
You can request a quote for Anthrylmethyl okadaate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthrylmethyl okadaate?
Yes, KEHONG BIO provides custom synthesis services for Anthrylmethyl okadaate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.