15-Deacetylsergeolide
TL;DR: 15-Deacetylsergeolide (CAS 95732-45-9) is a chemical compound with molecular formula C23H26O10 and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,10-trihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate
Also Known As: 15-Deacetylsergeolide, SERGEOLIDE,DESACETYL, SERGEOLIDE, 15-DEACETYL, methyl 3,4,10-trihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate, 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, [3S-(3.alpha.,3a.alpha.,4.alpha.,6a.alpha.,7a.beta.,8.beta.,12a.alpha.,13.alpha.,13aS*,14S*,15R*)]
| Molecular Formula | C23H26O10 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.1526 |
| Heavy Atoms | 33 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 95732-45-9 |
|---|---|
| SMILES | CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC |
| InChIKey | NPWJHTWCKHUSAM-UHFFFAOYSA-N |
Product Overview
15-Deacetylsergeolide (CAS 95732-45-9), with molecular formula C23H26O10 and molecular weight 462.15 g/mol. IUPAC: methyl 3,4,10-trihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate.
Chemical Property Profile of 15-Deacetylsergeolide
Property Insights of 15-Deacetylsergeolide
The XLogP value of -0.1 indicates that 15-Deacetylsergeolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 15-Deacetylsergeolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 15-Deacetylsergeolide has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 15-Deacetylsergeolide?
The CAS number of 15-Deacetylsergeolide is 95732-45-9.
What is the molecular formula of 15-Deacetylsergeolide?
The molecular formula of 15-Deacetylsergeolide is C23H26O10.
What is the molecular weight of 15-Deacetylsergeolide?
The molecular weight of 15-Deacetylsergeolide is 462.15 g/mol.
Where can I buy 15-Deacetylsergeolide?
You can request a quote for 15-Deacetylsergeolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Deacetylsergeolide?
Yes, KEHONG BIO provides custom synthesis services for 15-Deacetylsergeolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.