Butyrophenonhelveticosid
TL;DR: Butyrophenonhelveticosid (CAS 35919-82-5) 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)-4-methyl-2-phenyl-2-propyl-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: Butyrophenonhelveticosid, Butyrophenonhelveticosid [German], FG 274, 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-phenylbutylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-9-oxo-, (3r,5s,10s,13r,14s,17r)-3-[[(3ar,6r)-4-methyl-2-phenyl-2-propyl-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 | 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 | 35919-82-5 |
|---|---|
| SMILES | CCCC1(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)C8=CC=CC=C8 |
| InChIKey | FZSCXXRCCXPHSI-KTERBZBKSA-N |
Product Overview
Butyrophenonhelveticosid (CAS 35919-82-5), with molecular formula C39H52O9 and molecular weight 664.36 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-2-propyl-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 Butyrophenonhelveticosid
Property Insights of Butyrophenonhelveticosid
The XLogP value of 3.8 indicates that Butyrophenonhelveticosid 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 Butyrophenonhelveticosid. Following Lipinski's Rule of Five, Butyrophenonhelveticosid 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 Butyrophenonhelveticosid?
The CAS number of Butyrophenonhelveticosid is 35919-82-5.
What is the molecular formula of Butyrophenonhelveticosid?
The molecular formula of Butyrophenonhelveticosid is C39H52O9.
What is the molecular weight of Butyrophenonhelveticosid?
The molecular weight of Butyrophenonhelveticosid is 664.36 g/mol.
Where can I buy Butyrophenonhelveticosid?
You can request a quote for Butyrophenonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.