Decipinone
TL;DR: Decipinone (CAS 204199-83-7) is a chemical compound with molecular formula C35H42O12 and molecular weight 654.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate
Also Known As: decipinone, [(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate, ((1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo(f)azulen-10-yl) benzoate, (2S)-2alpha,9-Dimethyl-4abeta-(acetoxymethyl)-8alpha-isopropenyl-10-oxo-1,2,3,3abeta,4,4a,5,8,8aalpha,9,10,10a-dodecahydrobenz[f]azulene-3alpha,4beta,5alpha,9alpha,10aalpha-pentol 3,5,9-triacetate 4-benzoate, (2S)-2alpha,9-Dimethyl-4abeta-(acetoxymethyl)-8alpha-isopropenyl-10-oxo-1,2,3,3abeta,4,4a,5,8,8aalpha,9,10,10a-dodecahydrobenzo[f]azulene-3alpha,4beta,5alpha,9alpha,10aalpha-pentaol 3,5,9-triacetate 4-benzoate
| Molecular Formula | C35H42O12 |
|---|---|
| Molecular Weight | 654.27 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 654.26764 |
| Heavy Atoms | 47 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 204199-83-7 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H]([C@@]3([C@@H](C=C[C@@H]([C@H]3[C@](C2=O)(C)OC(=O)C)C(=C)C)OC(=O)C)COC(=O)C)OC(=O)C4=CC=CC=C4)O |
| InChIKey | HOGZGYQYXIPIFE-WPTDIIRDSA-N |
Product Overview
Decipinone (CAS 204199-83-7), with molecular formula C35H42O12 and molecular weight 654.27 g/mol. IUPAC: [(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate.
Chemical Property Profile of Decipinone
Property Insights of Decipinone
The XLogP value of 4.0 indicates that Decipinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Decipinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decipinone has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decipinone?
The CAS number of Decipinone is 204199-83-7.
What is the molecular formula of Decipinone?
The molecular formula of Decipinone is C35H42O12.
What is the molecular weight of Decipinone?
The molecular weight of Decipinone is 654.27 g/mol.
Where can I buy Decipinone?
You can request a quote for Decipinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decipinone?
Yes, KEHONG BIO provides custom synthesis services for Decipinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.