12-氧代曼陀罗内酯
TL;DR: 12-氧代曼陀罗内酯 (CAS 59132-33-1) 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.
12-氧代曼陀罗内酯
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione
Also Known As: 12-Oxodaturalactone, 12-Oxydaturalactone, Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-1,12-dioxo-5,17,22-trihydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-, 5,17-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione, (22S)-5,17-Dihydroxy-5alpha,6alpha,7alpha-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
| Molecular Formula | C28H36O7 |
|---|---|
| Molecular Weight | 484.25 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.2461 |
| Heavy Atoms | 35 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 59132-33-1 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C |
| InChIKey | DASIIWZHZVHTSC-NAPILNLDSA-N |
Product Overview
12-氧代曼陀罗内酯 (CAS 59132-33-1), with molecular formula C28H36O7 and molecular weight 484.25 g/mol. IUPAC: (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione.
Chemical Property Profile of 12-氧代曼陀罗内酯
Property Insights of 12-氧代曼陀罗内酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-氧代曼陀罗内酯. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-氧代曼陀罗内酯. Following Lipinski's Rule of Five, 12-氧代曼陀罗内酯 has 2 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 12-氧代曼陀罗内酯?
The CAS number of 12-氧代曼陀罗内酯 is 59132-33-1.
What is the molecular formula of 12-氧代曼陀罗内酯?
The molecular formula of 12-氧代曼陀罗内酯 is C28H36O7.
What is the molecular weight of 12-氧代曼陀罗内酯?
The molecular weight of 12-氧代曼陀罗内酯 is 484.25 g/mol.
Where can I buy 12-氧代曼陀罗内酯?
You can request a quote for 12-氧代曼陀罗内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-氧代曼陀罗内酯?
Yes, KEHONG BIO provides custom synthesis services for 12-氧代曼陀罗内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.