5,8-Epidioxyergosta-6,22-dien-3-yl linoleate
TL;DR: 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate (CAS 138329-20-1) is a chemical compound with molecular formula C46H74O4 and molecular weight 690.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,5R,6R,9R,10R,13S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl] (9E,12E)-octadeca-9,12-dienoate
Also Known As: 5,8-Eedyl, 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate, (3beta(9Z,12Z),5alpha,8alpha)-5,8-Epidioxyergosta-6,22-dien-3-ol 9,12-ocatadecadienoate, [(2R,5R,6R,9R,10R,13S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl] (9E,12E)-octadeca-9,12-dienoate, Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, 9,12-ocatadecadienoate, (3beta(9Z,12Z),5alpha,8alpha)-
| Molecular Formula | C46H74O4 |
|---|---|
| Molecular Weight | 690.56 g/mol |
| LogP | 12.838 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 690.5587 |
| Heavy Atoms | 50 |
| Complexity | 1214.3925 |
Chemical Identifiers
| CAS Number | 138329-20-1 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@H]4C35C=CC2(C1)OO5)[C@H](C)/C=C/[C@H](C)C(C)C)C)C |
Product Overview
5,8-Epidioxyergosta-6,22-dien-3-yl linoleate (CAS 138329-20-1), with molecular formula C46H74O4 and molecular weight 690.56 g/mol. IUPAC: [(2R,5R,6R,9R,10R,13S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl] (9E,12E)-octadeca-9,12-dienoate.
Chemical Property Profile of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate
Property Insights of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate
The XLogP value of 12.838 indicates that 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate?
The CAS number of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate is 138329-20-1.
What is the molecular formula of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate?
The molecular formula of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate is C46H74O4.
What is the molecular weight of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate?
The molecular weight of 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate is 690.56 g/mol.
Where can I buy 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate?
You can request a quote for 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Epidioxyergosta-6,22-dien-3-yl linoleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.