Benzylacetonhelveticosid
TL;DR: Benzylacetonhelveticosid (CAS 40528-28-7) 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.
3-[[2,4-dimethyl-2-(2-phenylethyl)-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: Benzylacetonhelveticosid, Benzylacetonhelveticosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-3-phenylpropylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, 3-{[2,6-dideoxy-3,4-o-(1-methyl-3-phenylpropylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide, 3-[(2,4-dimethyl-2-phenethyl-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
| Molecular Formula | C39H52O9 |
|---|---|
| Molecular Weight | 664.36 g/mol |
| LogP | 3.8 |
| 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 | 40528-28-7 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)CCC8=CC=CC=C8 |
| InChIKey | BQDMWMVXZLOEKH-UHFFFAOYSA-N |
Product Overview
Benzylacetonhelveticosid (CAS 40528-28-7), with molecular formula C39H52O9 and molecular weight 664.36 g/mol. IUPAC: 3-[[2,4-dimethyl-2-(2-phenylethyl)-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 Benzylacetonhelveticosid
Property Insights of Benzylacetonhelveticosid
The XLogP value of 3.8 indicates that Benzylacetonhelveticosid 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 Benzylacetonhelveticosid. Following Lipinski's Rule of Five, Benzylacetonhelveticosid 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 Benzylacetonhelveticosid?
The CAS number of Benzylacetonhelveticosid is 40528-28-7.
What is the molecular formula of Benzylacetonhelveticosid?
The molecular formula of Benzylacetonhelveticosid is C39H52O9.
What is the molecular weight of Benzylacetonhelveticosid?
The molecular weight of Benzylacetonhelveticosid is 664.36 g/mol.
Where can I buy Benzylacetonhelveticosid?
You can request a quote for Benzylacetonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylacetonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Benzylacetonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.