ANTHOTHECOL
TL;DR: ANTHOTHECOL (CAS 10410-83-0) is a chemical compound with molecular formula C28H32O7 and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate
Also Known As: ANTHOTHECOL, anthothecol [M+H]+, 17-(furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate, [6-(Furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate, (11alpha,13alpha,14beta,15beta,17alpha)-11-(Acetyloxy)-14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-24-norchola-1,5,20,22-tetraene-3,7-dione
| Molecular Formula | C28H32O7 |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.2148 |
| Heavy Atoms | 35 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 10410-83-0 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CC3C2(O3)C4(C1C5(C=CC(=O)C(C5=C(C4=O)O)(C)C)C)C)C6=COC=C6)C |
| InChIKey | AJTULIWKBMDPCJ-UHFFFAOYSA-N |
Product Overview
ANTHOTHECOL (CAS 10410-83-0), with molecular formula C28H32O7 and molecular weight 480.21 g/mol. IUPAC: [6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate.
Chemical Property Profile of ANTHOTHECOL
Property Insights of ANTHOTHECOL
The XLogP value of 3.1 indicates that ANTHOTHECOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ANTHOTHECOL. Following Lipinski's Rule of Five, ANTHOTHECOL has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ANTHOTHECOL?
The CAS number of ANTHOTHECOL is 10410-83-0.
What is the molecular formula of ANTHOTHECOL?
The molecular formula of ANTHOTHECOL is C28H32O7.
What is the molecular weight of ANTHOTHECOL?
The molecular weight of ANTHOTHECOL is 480.21 g/mol.
Where can I buy ANTHOTHECOL?
You can request a quote for ANTHOTHECOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANTHOTHECOL?
Yes, KEHONG BIO provides custom synthesis services for ANTHOTHECOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.