gedunin
TL;DR: gedunin (CAS 2629-11-0) is a chemical compound with molecular formula C28H36O7 and molecular weight 484.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
Also Known As: gedunin, Spiro(oxirane-2,14'-(8-beta)podocarp(1)ene)-3-carboxylic acid, 13'-beta- (3-furylhydroxymethyl)-7'-alpha-hydroxy-8',13'-dimethyl-3'-oxo-, 3,13'-lactone, acetate, (4aR,6R,6aS,10S,10aS,12aR,12bR)-10-(Furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxohexadecahydrooxireno[c]phenanthro[1,2-d]pyran-6-yl acetate, 10-(Furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxohexadecahydrooxireno[c]phenanthro[1,2-d]pyran-6-yl acetate, d-Homo-24-nor-17-oxachola-20,22-diene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-
| Molecular Formula | C28H36O7 |
|---|---|
| Molecular Weight | 484.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.2461 |
| Heavy Atoms | 35 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 2629-11-0 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@](CCC(=O)C2(C)C)([C@@H]3[C@@]1(C45C(O4)C(=O)O[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C |
| InChIKey | ROWFSYNHZPRCKO-QMBHMPINSA-N |
Product Overview
gedunin (CAS 2629-11-0), with molecular formula C28H36O7 and molecular weight 484.25 g/mol. IUPAC: [(1S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate.
Chemical Property Profile of gedunin
Property Insights of gedunin
The XLogP value of 4.0 indicates that gedunin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for gedunin. Following Lipinski's Rule of Five, gedunin has 0 hydrogen bond donor(s) and 7 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 gedunin?
The CAS number of gedunin is 2629-11-0.
What is the molecular formula of gedunin?
The molecular formula of gedunin is C28H36O7.
What is the molecular weight of gedunin?
The molecular weight of gedunin is 484.25 g/mol.
Where can I buy gedunin?
You can request a quote for gedunin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gedunin?
Yes, KEHONG BIO provides custom synthesis services for gedunin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.