Ochraceolide B
TL;DR: Ochraceolide B (CAS 138913-62-9) is a chemical compound with molecular formula C30H44O4 and molecular weight 468.32 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,16S,22S)-1,2,6,6,10,22-hexamethylspiro[19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-17,2'-oxirane]-7,18-dione
Also Known As: Ochraceolide B, 20,29-Epoxy-3-oxolupan-30,21alpha-olide, 20,30:21,29-diepoxylupane-3,29-dione, 19beta-20,30:21,29-Diepoxylupane-3,29-dione, (1R,2R,5R,10R,11R,14R,15S,16S,22S)-1,2,6,6,10,22-Hexamethylspiro[19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-17,2'-oxirane]-7,18-dione
| Molecular Formula | C30H44O4 |
|---|---|
| Molecular Weight | 468.32 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 468.32397 |
| Heavy Atoms | 34 |
| Complexity | 986.0 |
Chemical Identifiers
| CAS Number | 138913-62-9 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3([C@@H]([C@H]1[C@H]4C(C2)OC(=O)C45CO5)CC[C@H]6[C@]3(CC[C@@H]7[C@@]6(CCC(=O)C7(C)C)C)C)C |
| InChIKey | BSKDFVKLMLKTPZ-XTUJKRHWSA-N |
Product Overview
Ochraceolide B (CAS 138913-62-9), with molecular formula C30H44O4 and molecular weight 468.32 g/mol. IUPAC: (1R,2R,5R,10R,11R,14R,15S,16S,22S)-1,2,6,6,10,22-hexamethylspiro[19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-17,2'-oxirane]-7,18-dione.
Chemical Property Profile of Ochraceolide B
Property Insights of Ochraceolide B
The XLogP value of 6.8 indicates that Ochraceolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, Ochraceolide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ochraceolide B 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 Ochraceolide B?
The CAS number of Ochraceolide B is 138913-62-9.
What is the molecular formula of Ochraceolide B?
The molecular formula of Ochraceolide B is C30H44O4.
What is the molecular weight of Ochraceolide B?
The molecular weight of Ochraceolide B is 468.32 g/mol.
Where can I buy Ochraceolide B?
You can request a quote for Ochraceolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochraceolide B?
Yes, KEHONG BIO provides custom synthesis services for Ochraceolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.