2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester
TL;DR: 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester (CAS 121232-49-3) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,6S,9R,11R,12S,14R,15R,18R)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-6-(oxolan-3-yl)-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 2-methylbutanoate
Also Known As: 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester, (2aR,3R,5S,5aR,6aR,8S,9aR,10aS,10bR,10cR)-3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(oxolan-3-yl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl 2-methylbutanoate, 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester, 3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(oxolan-3-yl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl 2-methylbutanoate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 121232-49-3 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1(C([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6CCOC6)C)C)CC(=O)OC)C)C)O |
| InChIKey | HTPCFKRZGJBADN-PEJVTSDFSA-N |
Product Overview
2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester (CAS 121232-49-3), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(1R,2S,4R,6S,9R,11R,12S,14R,15R,18R)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-6-(oxolan-3-yl)-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 2-methylbutanoate.
Chemical Property Profile of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester
Property Insights of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester
The XLogP value of 3.1 indicates that 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester. Following Lipinski's Rule of Five, 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester?
The CAS number of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester is 121232-49-3.
What is the molecular formula of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester?
The molecular formula of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester is C32H48O8.
What is the molecular weight of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester?
The molecular weight of 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester is 560.33 g/mol.
Where can I buy 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester?
You can request a quote for 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(2-methyl-1-oxobutoxy)-8-(tetrahydro-3-furanyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.