ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate
TL;DR: ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate (CAS 13605-49-7) is a chemical compound with molecular formula C31H48O3 and molecular weight 468.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-2-carboxylate
Also Known As: ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate, ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-2-carboxylate, 30-Noroleana-12,18-dien-29-oic acid, 3-hydroxy-, ethyl ester, (3beta,20beta)-
| Molecular Formula | C31H48O3 |
|---|---|
| Molecular Weight | 468.36 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.36035 |
| Heavy Atoms | 34 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 13605-49-7 |
|---|---|
| SMILES | CCOC(=O)C1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2=C1)C)C |
| InChIKey | MTXHDAPYSWMIFV-UHFFFAOYSA-N |
Product Overview
ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate (CAS 13605-49-7), with molecular formula C31H48O3 and molecular weight 468.36 g/mol. IUPAC: ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-2-carboxylate.
Chemical Property Profile of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate
Property Insights of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate
The XLogP value of 7.7 indicates that ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate?
The CAS number of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate is 13605-49-7.
What is the molecular formula of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate?
The molecular formula of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate is C31H48O3.
What is the molecular weight of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate?
The molecular weight of ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate is 468.36 g/mol.
Where can I buy ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate?
You can request a quote for ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 10-hydroxy-4a,6a,6b,9,9,12a-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.