Aethylbenzylketonhelveticosid
TL;DR: Aethylbenzylketonhelveticosid (CAS 35811-18-8) is a chemical compound with molecular formula C39H52O9 and molecular weight 664.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-benzyl-2-ethyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Aethylbenzylketonhelveticosid, FG 272, Aethylbenzylketonhelveticosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-phenylmethyl)propylidene)-beta-D-ribo-hexopyranosyl)-5,14-dihydroxy-19-oxo-, (3r,5s,10s,13r,14s,17r)-3-[[(3ar,6r)-2-ethyl-4-methyl-2-(phenylmethyl)-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C39H52O9 |
|---|---|
| Molecular Weight | 664.36 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 664.36115 |
| Heavy Atoms | 48 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 35811-18-8 |
|---|---|
| SMILES | CCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)CC8=CC=CC=C8 |
| InChIKey | HNPHHQIVLVXXAR-APIROQMQSA-N |
Product Overview
Aethylbenzylketonhelveticosid (CAS 35811-18-8), with molecular formula C39H52O9 and molecular weight 664.36 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-benzyl-2-ethyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Aethylbenzylketonhelveticosid
Property Insights of Aethylbenzylketonhelveticosid
The XLogP value of 4.0 indicates that Aethylbenzylketonhelveticosid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aethylbenzylketonhelveticosid. Following Lipinski's Rule of Five, Aethylbenzylketonhelveticosid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aethylbenzylketonhelveticosid?
The CAS number of Aethylbenzylketonhelveticosid is 35811-18-8.
What is the molecular formula of Aethylbenzylketonhelveticosid?
The molecular formula of Aethylbenzylketonhelveticosid is C39H52O9.
What is the molecular weight of Aethylbenzylketonhelveticosid?
The molecular weight of Aethylbenzylketonhelveticosid is 664.36 g/mol.
Where can I buy Aethylbenzylketonhelveticosid?
You can request a quote for Aethylbenzylketonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aethylbenzylketonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Aethylbenzylketonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.