Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-
TL;DR: Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- (CAS 82345-32-2) is a chemical compound with molecular formula C30H42O10 and molecular weight 562.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,5S,6R,8R,10S,12S,14S,15S,17R,18S,19R,23R)-5,17,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-16-one
Also Known As: Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-, (1R,3bR,5aR,6aS,7aS,8R,10R,11aS,12aS,13aS,13bS,15R,15aS)-3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one, 3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one
| Molecular Formula | C30H42O10 |
|---|---|
| Molecular Weight | 562.28 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 562.2778 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 82345-32-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@H]3C[C@]4([C@H](CC[C@@H]5[C@@H]4C(=O)[C@@H]([C@]6(C5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C[C@@H]3O2)C)O)OC |
| InChIKey | BRTUQPCQNQOTHY-MQCGWOFGSA-N |
Product Overview
Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- (CAS 82345-32-2), with molecular formula C30H42O10 and molecular weight 562.28 g/mol. IUPAC: (1R,3S,5S,6R,8R,10S,12S,14S,15S,17R,18S,19R,23R)-5,17,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-16-one.
Chemical Property Profile of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-
Property Insights of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-. The TPSA of 141.0 Ų indicates high polarity, suggesting Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- 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 Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-?
The CAS number of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- is 82345-32-2.
What is the molecular formula of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-?
The molecular formula of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- is C30H42O10.
What is the molecular weight of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-?
The molecular weight of Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- is 562.28 g/mol.
Where can I buy Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-?
You can request a quote for Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.