Calotroposide A
TL;DR: Calotroposide A (CAS 146713-99-7) is a chemical compound with molecular formula C63H96O21 and molecular weight 1188.6444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[17-acetyl-8,14-dihydroxy-3-[5-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate
Also Known As: Calotroposide A, 12-O-Benzoyllineolon 3-O-cymaropyranosyl-1-4-oleandropyranosyl-1-4-oleandropyranosyl-1-4-cymaropyranosyl-1-4-cymaropyranoside, [17-acetyl-8,14-dihydroxy-3-[5-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate, [17-acetyl-8,14-dihydroxy-3-[5-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyl- oxan-2-yl)oxy-4-methoxy-6-met, Pregn-5-en-20-one, 12-(benzoyloxy)-3-((O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hxopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-8,14-dihydroxy-, (3beta,12beta,14beta,17alpha)-
Technical Specifications
| Molecular Formula | C63H96O21 |
| Molecular Weight | 1188.6444 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 243.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Exact Mass | 1188.6444 Da |
| Heavy Atoms | 84 |
| Complexity | 2250.0 |
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5C(OC(CC5OC)OC6CCC7(C8CC(C9(C(CCC9(C8(CC=C7C6)O)O)C(=O)C)C)OC(=O)C1=CC=CC=C1)C)C)C)C)C)OC)O |
| InChIKey | FURJPEDAWWWECD-UHFFFAOYSA-N |
Chemical Property Profile of Calotroposide A
Property Insights of Calotroposide A
The XLogP value of 4.7 indicates that Calotroposide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting Calotroposide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calotroposide A has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calotroposide A?
The CAS number of Calotroposide A is 146713-99-7.
What is the molecular formula of Calotroposide A?
The molecular formula of Calotroposide A is C63H96O21.
What is the molecular weight of Calotroposide A?
The molecular weight of Calotroposide A is 1188.6444 g/mol.
Where can I buy Calotroposide A?
You can request a quote for Calotroposide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calotroposide A?
Yes, CoreyChem provides custom synthesis services for Calotroposide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.