16-Desacetyl-16-anhydroacoschimperoside P
TL;DR: 16-Desacetyl-16-anhydroacoschimperoside P (CAS 23725-08-8) is a chemical compound with molecular formula C30H44O8 and molecular weight 532.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 16-Desacetyl-16-anhydroacoschimperoside P, 3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycarda-16,20(22)-dienolide, 5-beta-Carda-16,20(22)-dienolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-(3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
| Molecular Formula | C30H44O8 |
|---|---|
| Molecular Weight | 532.30 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 532.3036 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 23725-08-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC=C5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | UZGHYQNGGUZHSY-UHFFFAOYSA-N |
Product Overview
16-Desacetyl-16-anhydroacoschimperoside P (CAS 23725-08-8), with molecular formula C30H44O8 and molecular weight 532.30 g/mol. IUPAC: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 16-Desacetyl-16-anhydroacoschimperoside P
Property Insights of 16-Desacetyl-16-anhydroacoschimperoside P
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Desacetyl-16-anhydroacoschimperoside P. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Desacetyl-16-anhydroacoschimperoside P. Following Lipinski's Rule of Five, 16-Desacetyl-16-anhydroacoschimperoside P has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Desacetyl-16-anhydroacoschimperoside P?
The CAS number of 16-Desacetyl-16-anhydroacoschimperoside P is 23725-08-8.
What is the molecular formula of 16-Desacetyl-16-anhydroacoschimperoside P?
The molecular formula of 16-Desacetyl-16-anhydroacoschimperoside P is C30H44O8.
What is the molecular weight of 16-Desacetyl-16-anhydroacoschimperoside P?
The molecular weight of 16-Desacetyl-16-anhydroacoschimperoside P is 532.30 g/mol.
Where can I buy 16-Desacetyl-16-anhydroacoschimperoside P?
You can request a quote for 16-Desacetyl-16-anhydroacoschimperoside P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Desacetyl-16-anhydroacoschimperoside P?
Yes, KEHONG BIO provides custom synthesis services for 16-Desacetyl-16-anhydroacoschimperoside P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.