Ochraceolide A
TL;DR: Ochraceolide A (CAS 161373-47-3) is a chemical compound with molecular formula C30H44O3 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5R,10R,11R,14R,15S,20S,22S)-1,2,6,6,10,22-hexamethyl-17-methylidene-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-7,18-dione
Also Known As: Ochraceolide A, KST-1A1840, 3-Oxolup-20(29)-en-30,21alpha-olide, 21,29-Epoxylup-20(30)-ene-3,29-dione, (19xi,21
| Molecular Formula | C30H44O3 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 452.32904 |
| Heavy Atoms | 33 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 161373-47-3 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3([C@@H]([C@H]1C4[C@H](C2)OC(=O)C4=C)CC[C@H]5[C@]3(CC[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)C |
| InChIKey | YCZVTFNLKYNKPH-MZDZSEAKSA-N |
Product Overview
Ochraceolide A (CAS 161373-47-3), with molecular formula C30H44O3 and molecular weight 452.33 g/mol. IUPAC: (1R,2R,5R,10R,11R,14R,15S,20S,22S)-1,2,6,6,10,22-hexamethyl-17-methylidene-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-7,18-dione.
Chemical Property Profile of Ochraceolide A
Property Insights of Ochraceolide A
The XLogP value of 7.7 indicates that Ochraceolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ochraceolide A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ochraceolide A has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ochraceolide A?
The CAS number of Ochraceolide A is 161373-47-3.
What is the molecular formula of Ochraceolide A?
The molecular formula of Ochraceolide A is C30H44O3.
What is the molecular weight of Ochraceolide A?
The molecular weight of Ochraceolide A is 452.33 g/mol.
Where can I buy Ochraceolide A?
You can request a quote for Ochraceolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochraceolide A?
Yes, KEHONG BIO provides custom synthesis services for Ochraceolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.