Harrisonin
TL;DR: Harrisonin (CAS 62026-30-6) is a chemical compound with molecular formula C27H32O10 and molecular weight 516.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12R,13R,17S)-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate
Also Known As: Harrisonin, methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12R,13R,17S)-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate, 4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid, Methyl (2Z)-3-((3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo(3',2':4,5)cyclopent(1,2-f)oxireno(d)-2-benzopyran-6-yl)-2-propenoate, Methyl (2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3a(2),2a(2):4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-2-propenoate
| Molecular Formula | C27H32O10 |
|---|---|
| Molecular Weight | 516.20 g/mol |
| LogP | 1.9844 |
| Topological Polar Surface Area | 145.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.1995 |
| Heavy Atoms | 37 |
| Complexity | 1251.7051 |
Chemical Identifiers
| CAS Number | 62026-30-6 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@]4(C(=O)C(O[C@]4([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)O)(C)C)O)(C)/C=C\C(=O)OC |
Product Overview
Harrisonin (CAS 62026-30-6), with molecular formula C27H32O10 and molecular weight 516.20 g/mol. IUPAC: methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12R,13R,17S)-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate.
Chemical Property Profile of Harrisonin
Property Insights of Harrisonin
The XLogP value of 1.9844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Harrisonin. The TPSA of 145.03 Ų indicates high polarity, suggesting Harrisonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Harrisonin has 2 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 Harrisonin?
The CAS number of Harrisonin is 62026-30-6.
What is the molecular formula of Harrisonin?
The molecular formula of Harrisonin is C27H32O10.
What is the molecular weight of Harrisonin?
The molecular weight of Harrisonin is 516.20 g/mol.
Where can I buy Harrisonin?
You can request a quote for Harrisonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Harrisonin?
Yes, KEHONG BIO provides custom synthesis services for Harrisonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.