Thorectandrol C
TL;DR: Thorectandrol C (CAS 425368-59-8) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,4aS,8aS)-4-[(E,6R)-6-hydroxy-3-methyl-6-(5-oxo-2H-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl] acetate
Also Known As: Thorectandrol C, J1.736.404I, ((2R,3R,4S,4aS,8aS)-4-((E,6R)-6-hydroxy-3-methyl-6-(5-oxo-2H-furan-3-yl)hex-3-enyl)-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl) acetate, (2R,3R,4S,4aS,8aS)-4-[(3E,6R)-6-hydroxy-3-methyl-6-(5-oxo-2,5-dihydrofuran-3-yl)hex-3-en-1-yl]-3,4,8a-trimethyl-8-methylidene-decahydronaphthalen-2-yl acetate, [(2R,3R,4S,4aS,8aS)-4-[(E,6R)-6-hydroxy-3-methyl-6-(5-oxo-2H-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl] acetate
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 425368-59-8 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@]2([C@H]([C@]1(C)CC/C(=C/C[C@H](C3=CC(=O)OC3)O)/C)CCCC2=C)C)OC(=O)C |
| InChIKey | DHZHHHTYJVQJEJ-VIYFSLSRSA-N |
Product Overview
Thorectandrol C (CAS 425368-59-8), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: [(2R,3R,4S,4aS,8aS)-4-[(E,6R)-6-hydroxy-3-methyl-6-(5-oxo-2H-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl] acetate.
Chemical Property Profile of Thorectandrol C
Property Insights of Thorectandrol C
The XLogP value of 5.3 indicates that Thorectandrol C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Thorectandrol C. Following Lipinski's Rule of Five, Thorectandrol C has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thorectandrol C?
The CAS number of Thorectandrol C is 425368-59-8.
What is the molecular formula of Thorectandrol C?
The molecular formula of Thorectandrol C is C27H40O5.
What is the molecular weight of Thorectandrol C?
The molecular weight of Thorectandrol C is 444.29 g/mol.
Where can I buy Thorectandrol C?
You can request a quote for Thorectandrol C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thorectandrol C?
Yes, KEHONG BIO provides custom synthesis services for Thorectandrol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.