12beta-Acetoxyharrisonin
TL;DR: 12beta-Acetoxyharrisonin (CAS 81279-34-7) is a chemical compound with molecular formula C29H34O12 and molecular weight 574.21 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,9R,11R,12R,13R,17S)-9-acetyloxy-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: 12beta-Acetoxyharrisonin, Somatostatin 28-(1-12), 2-Propenoic acid, 3-((3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aR)-4-(acetyloxy)-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)-, methyl ester, (2Z)-
| Molecular Formula | C29H34O12 |
|---|---|
| Molecular Weight | 574.21 g/mol |
| LogP | 1.526 |
| Topological Polar Surface Area | 171.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 574.205 |
| Heavy Atoms | 41 |
| Complexity | 1398.0262 |
Chemical Identifiers
| CAS Number | 81279-34-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@]3(C(=O)C(O[C@]3([C@]2([C@]45[C@@]1([C@@H](OC(=O)[C@H]4O5)C6=COC=C6)C)C)O)(C)C)O)(C)/C=C\C(=O)OC |
Product Overview
12beta-Acetoxyharrisonin (CAS 81279-34-7), with molecular formula C29H34O12 and molecular weight 574.21 g/mol. IUPAC: methyl (Z)-3-[(1R,2R,4S,7S,8S,9R,11R,12R,13R,17S)-9-acetyloxy-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 12beta-Acetoxyharrisonin
Property Insights of 12beta-Acetoxyharrisonin
The XLogP value of 1.526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12beta-Acetoxyharrisonin. The TPSA of 171.33 Ų indicates high polarity, suggesting 12beta-Acetoxyharrisonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12beta-Acetoxyharrisonin has 2 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 12beta-Acetoxyharrisonin?
The CAS number of 12beta-Acetoxyharrisonin is 81279-34-7.
What is the molecular formula of 12beta-Acetoxyharrisonin?
The molecular formula of 12beta-Acetoxyharrisonin is C29H34O12.
What is the molecular weight of 12beta-Acetoxyharrisonin?
The molecular weight of 12beta-Acetoxyharrisonin is 574.21 g/mol.
Where can I buy 12beta-Acetoxyharrisonin?
You can request a quote for 12beta-Acetoxyharrisonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12beta-Acetoxyharrisonin?
Yes, KEHONG BIO provides custom synthesis services for 12beta-Acetoxyharrisonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.