Kansuinin A
TL;DR: Kansuinin A (CAS 57701-86-7) is a chemical compound with molecular formula C37H46O15 and molecular weight 730.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate
Also Known As: Kansuinin A, Kansuinine A, [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-Pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate, (1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-PENTAKIS(ACETYLOXY)-1-HYDROXY-4,12,12,15-TETRAMETHYL-8-METHYLIDENE-14-OXO-16-OXATRICYCLO[11.2.1.0(2),?]HEXADECAN-10-YL BENZOATE, (1S,2S,3aR,4R,5S,7R,9S,10S,11S,13R,13aR)-1,3a,9,11,13-Pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylidene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl benzoate
| Molecular Formula | C37H46O15 |
|---|---|
| Molecular Weight | 730.28 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 730.2837 |
| Heavy Atoms | 52 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 57701-86-7 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3C(=O)[C@@H]([C@]2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | VKHCUWUNVKZFBM-ADCMAJNMSA-N |
Product Overview
Kansuinin A (CAS 57701-86-7), with molecular formula C37H46O15 and molecular weight 730.28 g/mol. IUPAC: [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15S)-2,5,7,9,11-pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate.
Chemical Property Profile of Kansuinin A
Property Insights of Kansuinin A
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kansuinin A. The TPSA of 204.0 Ų indicates high polarity, suggesting Kansuinin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kansuinin A has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kansuinin A?
The CAS number of Kansuinin A is 57701-86-7.
What is the molecular formula of Kansuinin A?
The molecular formula of Kansuinin A is C37H46O15.
What is the molecular weight of Kansuinin A?
The molecular weight of Kansuinin A is 730.28 g/mol.
Where can I buy Kansuinin A?
You can request a quote for Kansuinin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kansuinin A?
Yes, KEHONG BIO provides custom synthesis services for Kansuinin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.