Anisaldehydhelveticosol
TL;DR: Anisaldehydhelveticosol (CAS 5324-70-9) is a chemical compound with molecular formula C37H50O10 and molecular weight 654.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5,14-dihydroxy-10-(hydroxymethyl)-3-[[2-(4-methoxyphenyl)-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Anisaldehydhelveticosol, Anisaldehydhelveticosol [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(p-methoxybenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, 3-({2,6-Dideoxy-3,4-O-[(4-methoxyphenyl)methylidene]hexopyranosyl}oxy)-5,14,19-trihydroxycard-20(22)-enolide, 3-[5,14-dihydroxy-10-(hydroxymethyl)-3-[[2-(4-methoxyphenyl)-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C37H50O10 |
|---|---|
| Molecular Weight | 654.34 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 654.3404 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 5324-70-9 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)C8=CC=C(C=C8)OC |
| InChIKey | AXNUWHJUULNIRA-UHFFFAOYSA-N |
Product Overview
Anisaldehydhelveticosol (CAS 5324-70-9), with molecular formula C37H50O10 and molecular weight 654.34 g/mol. IUPAC: 3-[5,14-dihydroxy-10-(hydroxymethyl)-3-[[2-(4-methoxyphenyl)-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Anisaldehydhelveticosol
Property Insights of Anisaldehydhelveticosol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisaldehydhelveticosol. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anisaldehydhelveticosol. Following Lipinski's Rule of Five, Anisaldehydhelveticosol has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anisaldehydhelveticosol?
The CAS number of Anisaldehydhelveticosol is 5324-70-9.
What is the molecular formula of Anisaldehydhelveticosol?
The molecular formula of Anisaldehydhelveticosol is C37H50O10.
What is the molecular weight of Anisaldehydhelveticosol?
The molecular weight of Anisaldehydhelveticosol is 654.34 g/mol.
Where can I buy Anisaldehydhelveticosol?
You can request a quote for Anisaldehydhelveticosol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anisaldehydhelveticosol?
Yes, KEHONG BIO provides custom synthesis services for Anisaldehydhelveticosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.