17-alpha-Helveticoside
TL;DR: 17-alpha-Helveticoside (CAS 6869-17-6) is a chemical compound with molecular formula C29H42O9 and molecular weight 534.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,17S)-3-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-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: Corchoroside A, allo-Helveticoside, 17-alpha-Helveticoside, allo-Helveticoside (8CI), (3S,5S,8R,9S,10S,13R,17S)-3-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-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 | C29H42O9 |
|---|---|
| Molecular Weight | 534.28 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.2829 |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 6869-17-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](CCC5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O |
| InChIKey | QBILRDAMJUPXCX-SMBITLCFSA-N |
Product Overview
17-alpha-Helveticoside (CAS 6869-17-6), with molecular formula C29H42O9 and molecular weight 534.28 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,17S)-3-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-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 17-alpha-Helveticoside
Property Insights of 17-alpha-Helveticoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-alpha-Helveticoside. The TPSA of 143.0 Ų indicates high polarity, suggesting 17-alpha-Helveticoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-alpha-Helveticoside has 4 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 17-alpha-Helveticoside?
The CAS number of 17-alpha-Helveticoside is 6869-17-6.
What is the molecular formula of 17-alpha-Helveticoside?
The molecular formula of 17-alpha-Helveticoside is C29H42O9.
What is the molecular weight of 17-alpha-Helveticoside?
The molecular weight of 17-alpha-Helveticoside is 534.28 g/mol.
Where can I buy 17-alpha-Helveticoside?
You can request a quote for 17-alpha-Helveticoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-alpha-Helveticoside?
Yes, KEHONG BIO provides custom synthesis services for 17-alpha-Helveticoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.