(-)-Peninsularinone
TL;DR: (-)-Peninsularinone (CAS 160791-11-7) is a chemical compound with molecular formula C28H40O10 and molecular weight 536.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate
Also Known As: Peninsularinone, (-)-Peninsularinone, NCI60_027283, (1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl (3S)-3-ethyl-3-hydroxy-4-methylpentanoate, (S)-3-Hydroxy-3-isopropylpentanoic acid 1beta,11,12alpha-trihydroxy-2,16-dioxo-11beta,20-epoxypicras-3-en-15beta-yl ester
| Molecular Formula | C28H40O10 |
|---|---|
| Molecular Weight | 536.26 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.26215 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 160791-11-7 |
|---|---|
| SMILES | CC[C@](CC(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)(C(C)C)O |
| InChIKey | YYFUPACSPMCQHM-IAXDHZOFSA-N |
Product Overview
(-)-Peninsularinone (CAS 160791-11-7), with molecular formula C28H40O10 and molecular weight 536.26 g/mol. IUPAC: [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate.
Chemical Property Profile of (-)-Peninsularinone
Property Insights of (-)-Peninsularinone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Peninsularinone. The TPSA of 160.0 Ų indicates high polarity, suggesting (-)-Peninsularinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Peninsularinone has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-Peninsularinone?
The CAS number of (-)-Peninsularinone is 160791-11-7.
What is the molecular formula of (-)-Peninsularinone?
The molecular formula of (-)-Peninsularinone is C28H40O10.
What is the molecular weight of (-)-Peninsularinone?
The molecular weight of (-)-Peninsularinone is 536.26 g/mol.
Where can I buy (-)-Peninsularinone?
You can request a quote for (-)-Peninsularinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Peninsularinone?
Yes, KEHONG BIO provides custom synthesis services for (-)-Peninsularinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.