RefChem:301351
TL;DR: RefChem:301351 (CAS 40528-32-3) is a chemical compound with molecular formula C38H50O9 and molecular weight 650.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,4-dimethyl-2-(4-methylphenyl)-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: 4-Methylacetophenonhelveticosid, 4-Methylacetophenonhelveticosid [German], 3-({2,6-dideoxy-3,4-o-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide, 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha,p-dimethylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, 3-[[2,4-dimethyl-2-(4-methylphenyl)-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 | C38H50O9 |
|---|---|
| Molecular Weight | 650.35 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 650.34546 |
| Heavy Atoms | 47 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 40528-32-3 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)C8=CC=C(C=C8)C |
| InChIKey | KBFMPNDZFVCWJP-UHFFFAOYSA-N |
Product Overview
RefChem:301351 (CAS 40528-32-3), with molecular formula C38H50O9 and molecular weight 650.35 g/mol. IUPAC: 3-[[2,4-dimethyl-2-(4-methylphenyl)-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 RefChem:301351
Property Insights of RefChem:301351
The XLogP value of 3.3 indicates that RefChem:301351 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 RefChem:301351. Following Lipinski's Rule of Five, RefChem:301351 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 RefChem:301351?
The CAS number of RefChem:301351 is 40528-32-3.
What is the molecular formula of RefChem:301351?
The molecular formula of RefChem:301351 is C38H50O9.
What is the molecular weight of RefChem:301351?
The molecular weight of RefChem:301351 is 650.35 g/mol.
Where can I buy RefChem:301351?
You can request a quote for RefChem:301351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.