Desacetyl-hongheloside A
TL;DR: Desacetyl-hongheloside A (CAS 101310-92-3) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Desacetyl-hongheloside A, 16-Deacetylhongheloside A, 3-[(3S,5R,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide, (8xi,9xi)-3beta-[(2,6-Dideoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-14,16beta-dihydroxy-5beta-card-20(22)-enolide
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 101310-92-3 |
|---|---|
| SMILES | CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)OC)O |
| InChIKey | ROKXRURUBUVHBD-FBDSKMPQSA-N |
Product Overview
Desacetyl-hongheloside A (CAS 101310-92-3), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Desacetyl-hongheloside A
Property Insights of Desacetyl-hongheloside A
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetyl-hongheloside A. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desacetyl-hongheloside A. Following Lipinski's Rule of Five, Desacetyl-hongheloside A 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 Desacetyl-hongheloside A?
The CAS number of Desacetyl-hongheloside A is 101310-92-3.
What is the molecular formula of Desacetyl-hongheloside A?
The molecular formula of Desacetyl-hongheloside A is C30H46O8.
What is the molecular weight of Desacetyl-hongheloside A?
The molecular weight of Desacetyl-hongheloside A is 534.32 g/mol.
Where can I buy Desacetyl-hongheloside A?
You can request a quote for Desacetyl-hongheloside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetyl-hongheloside A?
Yes, KEHONG BIO provides custom synthesis services for Desacetyl-hongheloside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.