Dihydro-daturalactone
TL;DR: Dihydro-daturalactone (CAS 67191-86-0) is a chemical compound with molecular formula C28H40O7 and molecular weight 488.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
Also Known As: Dihydro-daturalactone, Ergost-24-en-26-oic acid, 6,7-epoxy-1-oxo-5,12,17,22-tetrahydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-, 5,12,17-Trihydroxy-6,7:22,26-diepoxyergost-24-ene-1,26-dione, (22S)-5,12alpha,17-Trihydroxy-5alpha,6alpha,7alpha-6,7:22,26-diepoxyergost-24-ene-1,26-dione
| Molecular Formula | C28H40O7 |
|---|---|
| Molecular Weight | 488.28 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.2774 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 67191-86-0 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)CCC6)C)O)O)C)O)C |
| InChIKey | XWBFXVWMDFGPAG-HGCJDKBFSA-N |
Product Overview
Dihydro-daturalactone (CAS 67191-86-0), with molecular formula C28H40O7 and molecular weight 488.28 g/mol. IUPAC: (1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one.
Chemical Property Profile of Dihydro-daturalactone
Property Insights of Dihydro-daturalactone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-daturalactone. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydro-daturalactone. Following Lipinski's Rule of Five, Dihydro-daturalactone has 3 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 Dihydro-daturalactone?
The CAS number of Dihydro-daturalactone is 67191-86-0.
What is the molecular formula of Dihydro-daturalactone?
The molecular formula of Dihydro-daturalactone is C28H40O7.
What is the molecular weight of Dihydro-daturalactone?
The molecular weight of Dihydro-daturalactone is 488.28 g/mol.
Where can I buy Dihydro-daturalactone?
You can request a quote for Dihydro-daturalactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro-daturalactone?
Yes, KEHONG BIO provides custom synthesis services for Dihydro-daturalactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.