6beta-Tigloyloxychaparrinone
TL;DR: 6beta-Tigloyloxychaparrinone (CAS 69423-71-8) is a chemical compound with molecular formula C31H38O12 and molecular weight 602.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,7S,8R,13S,14R,15R,17S)-3,15-diacetyloxy-17-(acetyloxymethyl)-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-8-yl] (E)-2-methylbut-2-enoate
Also Known As: Grandilactone A, Grandilactone B, 6beta-Tigloyloxychaparrinone, 6alpha-Tigloyloxychaparrinone, 6 Alpha-tigloyloxychaparrinone
| Molecular Formula | C31H38O12 |
|---|---|
| Molecular Weight | 602.24 g/mol |
| LogP | 2.2091 |
| Topological Polar Surface Area | 165.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.2363 |
| Heavy Atoms | 43 |
| Complexity | 1341.6885 |
Chemical Identifiers
| CAS Number | 69423-71-8 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1[C@H]2C(=CC(=O)[C@H]([C@@]2(C3C(=O)[C@@H]([C@@H]([C@H]4[C@@]3(C1OC(=O)C4)COC(=O)C)C)OC(=O)C)C)OC(=O)C)C |
Product Overview
6beta-Tigloyloxychaparrinone (CAS 69423-71-8), with molecular formula C31H38O12 and molecular weight 602.24 g/mol. IUPAC: [(2S,3S,7S,8R,13S,14R,15R,17S)-3,15-diacetyloxy-17-(acetyloxymethyl)-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-8-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 6beta-Tigloyloxychaparrinone
Property Insights of 6beta-Tigloyloxychaparrinone
The XLogP value of 2.2091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6beta-Tigloyloxychaparrinone. The TPSA of 165.64 Ų indicates high polarity, suggesting 6beta-Tigloyloxychaparrinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6beta-Tigloyloxychaparrinone has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6beta-Tigloyloxychaparrinone?
The CAS number of 6beta-Tigloyloxychaparrinone is 69423-71-8.
What is the molecular formula of 6beta-Tigloyloxychaparrinone?
The molecular formula of 6beta-Tigloyloxychaparrinone is C31H38O12.
What is the molecular weight of 6beta-Tigloyloxychaparrinone?
The molecular weight of 6beta-Tigloyloxychaparrinone is 602.24 g/mol.
Where can I buy 6beta-Tigloyloxychaparrinone?
You can request a quote for 6beta-Tigloyloxychaparrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-Tigloyloxychaparrinone?
Yes, KEHONG BIO provides custom synthesis services for 6beta-Tigloyloxychaparrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.