Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-
TL;DR: Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- (CAS 98086-60-3) is a chemical compound with molecular formula C34H36O10 and molecular weight 604.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] benzoate
Also Known As: Yuanhuatin, Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-, (6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo(12.4.1.01,11.02,6.08,10.012,16)nonadecan-17-yl) benzoate, [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] benzoate, 5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(prop-1-en-2-yl)dodecahydro-2H,3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl benzoate
| Molecular Formula | C34H36O10 |
|---|---|
| Molecular Weight | 604.23 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.23083 |
| Heavy Atoms | 44 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 98086-60-3 |
|---|---|
| SMILES | CC1CC2C34C(C(C5(C(C3C6C(O6)(C(C2(C1=O)O)O)CO)OC(O4)(O5)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8)C |
| InChIKey | PDCNPZNDXUXVKI-UHFFFAOYSA-N |
Product Overview
Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- (CAS 98086-60-3), with molecular formula C34H36O10 and molecular weight 604.23 g/mol. IUPAC: [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] benzoate.
Chemical Property Profile of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-
Property Insights of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-. The TPSA of 144.0 Ų indicates high polarity, suggesting Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- has 3 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 Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-?
The CAS number of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- is 98086-60-3.
What is the molecular formula of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-?
The molecular formula of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- is C34H36O10.
What is the molecular weight of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-?
The molecular weight of Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- is 604.23 g/mol.
Where can I buy Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-?
You can request a quote for Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.