Yardenone A
TL;DR: Yardenone A (CAS 487016-96-6) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4H-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethylspiro[4,5,7,8,9,9a-hexahydrobenzo[b]oxepine-6,2'-oxolane]-3-one
Also Known As: Yardenone A, J1.863.284E, (4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4H-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethylspiro[4,5,7,8,9,9a-hexahydrobenzo[b]oxepine-6,2'-oxolane]-3-one, (4'S,5'R,5aR,6S,7S,9aS)-5'-((5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4H-cyclopenta(b)oxepin-6-yl)-4'-hydroxy-2,2,5a,7-tetramethylspiro(4,5,7,8,9,9a-hexahydrobenzo(b)oxepine-6,2'-oxolane)-3-one, (4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-octahydro-2H-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-octahydro-2H-spiro[1-benzoxepine-6,2'-oxolan]-3-one
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 487016-96-6 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@]([C@]13C[C@@H]([C@H](O3)[C@]4(CC[C@H]5[C@]4(CCC(=O)C(O5)(C)C)C)C)O)(CCC(=O)C(O2)(C)C)C |
| InChIKey | TXZQYJVCWLFJOA-ZXIRBURDSA-N |
Product Overview
Yardenone A (CAS 487016-96-6), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: (4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4H-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethylspiro[4,5,7,8,9,9a-hexahydrobenzo[b]oxepine-6,2'-oxolane]-3-one.
Chemical Property Profile of Yardenone A
Property Insights of Yardenone A
The XLogP value of 4.1 indicates that Yardenone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Yardenone A. Following Lipinski's Rule of Five, Yardenone A has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yardenone A?
The CAS number of Yardenone A is 487016-96-6.
What is the molecular formula of Yardenone A?
The molecular formula of Yardenone A is C30H48O6.
What is the molecular weight of Yardenone A?
The molecular weight of Yardenone A is 504.35 g/mol.
Where can I buy Yardenone A?
You can request a quote for Yardenone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yardenone A?
Yes, KEHONG BIO provides custom synthesis services for Yardenone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.