Sphaeropsidin D
TL;DR: Sphaeropsidin D (CAS 443129-18-8) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3R,5R,9S,10S)-5-ethenyl-2,3,9-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione
Also Known As: Sphaeropsidin D, (1R,2R,3R,5R,9S,10S)-5-ethenyl-2,3,9-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione, (1R,2R,3R,5R,9S,10S)-5-ethenyl-2,3,9-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo(7.5.2.01,10.02,7)hexadec-6-ene-8,15-dione, RefChem:184629
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 443129-18-8 |
|---|---|
| SMILES | C[C@@]1(C[C@H]([C@]2(C(=C1)C(=O)[C@@]3([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O)C=C |
| InChIKey | RGMZNUAVQHIGNL-WSFBEDDRSA-N |
Product Overview
Sphaeropsidin D (CAS 443129-18-8), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (1R,2R,3R,5R,9S,10S)-5-ethenyl-2,3,9-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione.
Chemical Property Profile of Sphaeropsidin D
Property Insights of Sphaeropsidin D
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sphaeropsidin D. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sphaeropsidin D. Following Lipinski's Rule of Five, Sphaeropsidin D has 3 hydrogen bond donor(s) and 6 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 Sphaeropsidin D?
The CAS number of Sphaeropsidin D is 443129-18-8.
What is the molecular formula of Sphaeropsidin D?
The molecular formula of Sphaeropsidin D is C20H26O6.
What is the molecular weight of Sphaeropsidin D?
The molecular weight of Sphaeropsidin D is 362.17 g/mol.
Where can I buy Sphaeropsidin D?
You can request a quote for Sphaeropsidin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sphaeropsidin D?
Yes, KEHONG BIO provides custom synthesis services for Sphaeropsidin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.