al-Dihydromansonin
TL;DR: al-Dihydromansonin (CAS 39575-88-7) is a chemical compound with molecular formula C31H48O10 and molecular weight 580.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5,14-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-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: al-Dihydromansonin, Mansonin, dihydro-, 3-[(6-deoxy-3,4-di-o-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide, 3-[5,14-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-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, 4-[5,14-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
| Molecular Formula | C31H48O10 |
|---|---|
| Molecular Weight | 580.32 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.32477 |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 39575-88-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)OC)OC |
| InChIKey | NLYFFDUIGDYSGB-UHFFFAOYSA-N |
Product Overview
al-Dihydromansonin (CAS 39575-88-7), with molecular formula C31H48O10 and molecular weight 580.32 g/mol. IUPAC: 3-[5,14-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-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 al-Dihydromansonin
Property Insights of al-Dihydromansonin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for al-Dihydromansonin. The TPSA of 144.0 Ų indicates high polarity, suggesting al-Dihydromansonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, al-Dihydromansonin has 4 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 al-Dihydromansonin?
The CAS number of al-Dihydromansonin is 39575-88-7.
What is the molecular formula of al-Dihydromansonin?
The molecular formula of al-Dihydromansonin is C31H48O10.
What is the molecular weight of al-Dihydromansonin?
The molecular weight of al-Dihydromansonin is 580.32 g/mol.
Where can I buy al-Dihydromansonin?
You can request a quote for al-Dihydromansonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for al-Dihydromansonin?
Yes, KEHONG BIO provides custom synthesis services for al-Dihydromansonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.