Benzaldehydhelveticosid
TL;DR: Benzaldehydhelveticosid (CAS 28719-23-5) is a chemical compound with molecular formula C36H46O9 and molecular weight 622.3142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-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: Benzaldehydhelveticosid, Benzaldehydhelveticosid [German], FG 200, 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(phenylmethylene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-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
Technical Specifications
| Molecular Formula | C36H46O9 |
| Molecular Weight | 622.3142 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 622.3142 Da |
| Heavy Atoms | 45 |
| Complexity | 1210.0 |
| SMILES | CC1[C@@H]2C(C[C@@H](O1)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)OC(O2)C8=CC=CC=C8 |
| InChIKey | MXTHSRLPPKBDCB-MBTXQDIMSA-N |
Chemical Property Profile of Benzaldehydhelveticosid
Property Insights of Benzaldehydhelveticosid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehydhelveticosid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehydhelveticosid. Following Lipinski's Rule of Five, Benzaldehydhelveticosid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzaldehydhelveticosid?
The CAS number of Benzaldehydhelveticosid is 28719-23-5.
What is the molecular formula of Benzaldehydhelveticosid?
The molecular formula of Benzaldehydhelveticosid is C36H46O9.
What is the molecular weight of Benzaldehydhelveticosid?
The molecular weight of Benzaldehydhelveticosid is 622.3142 g/mol.
Where can I buy Benzaldehydhelveticosid?
You can request a quote for Benzaldehydhelveticosid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzaldehydhelveticosid?
Yes, CoreyChem provides custom synthesis services for Benzaldehydhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.