Kokoononol
TL;DR: Kokoononol (CAS 72183-90-5) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
Also Known As: Kokoononol, D:A-Friedooleanane-3, 27-hydroxy, D:A-Friedooleanane-3,21-dione, 27-hydroxy, From inner stem bark of Kokoona zeylanica Thwaites plant, (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 72183-90-5 |
|---|---|
| SMILES | C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4CC(C(=O)C5)(C)C)C)C)CO)C)C |
| InChIKey | ZHJWYVRDMOUNPD-VMLBPCRSSA-N |
Product Overview
Kokoononol (CAS 72183-90-5), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione.
Chemical Property Profile of Kokoononol
Property Insights of Kokoononol
The XLogP value of 6.5 indicates that Kokoononol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Kokoononol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kokoononol has 1 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 Kokoononol?
The CAS number of Kokoononol is 72183-90-5.
What is the molecular formula of Kokoononol?
The molecular formula of Kokoononol is C30H48O3.
What is the molecular weight of Kokoononol?
The molecular weight of Kokoononol is 456.36 g/mol.
Where can I buy Kokoononol?
You can request a quote for Kokoononol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kokoononol?
Yes, KEHONG BIO provides custom synthesis services for Kokoononol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.