Spathulin
TL;DR: Spathulin (CAS 7706-45-8) is a chemical compound with molecular formula C19H26O8 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-4-yl) acetate
Also Known As: Spathulin, 5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-4,9-diyl diacetate, (3aS)-4beta,9beta-Diacetoxy-3a,4,4a,5,6,7,7aalpha,8,9,9abeta-decahydro-5alpha,7alpha-dihydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one, Ambros-11(13)-en-12-oic acid, 2,4,6,8,9-pentahydroxy-, 12,8-lactone, 6,9-diacetate, (4-acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-9-yl) acetate
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 7706-45-8 |
|---|---|
| SMILES | CC1C2C(CC(C2(C(C3C(C1OC(=O)C)OC(=O)C3=C)OC(=O)C)C)O)O |
| InChIKey | DBJWOTDYVYVATC-UHFFFAOYSA-N |
Product Overview
Spathulin (CAS 7706-45-8), with molecular formula C19H26O8 and molecular weight 382.16 g/mol. IUPAC: (9-acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-4-yl) acetate.
Chemical Property Profile of Spathulin
Property Insights of Spathulin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spathulin. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spathulin. Following Lipinski's Rule of Five, Spathulin has 2 hydrogen bond donor(s) and 8 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 Spathulin?
The CAS number of Spathulin is 7706-45-8.
What is the molecular formula of Spathulin?
The molecular formula of Spathulin is C19H26O8.
What is the molecular weight of Spathulin?
The molecular weight of Spathulin is 382.16 g/mol.
Where can I buy Spathulin?
You can request a quote for Spathulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spathulin?
Yes, KEHONG BIO provides custom synthesis services for Spathulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.