Sodwanone G
TL;DR: Sodwanone G (CAS 172854-77-2) is a chemical compound with molecular formula C30H42O6 and molecular weight 498.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
Also Known As: Sodwanone G, (4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione, (4aR)-5-(2-((5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro(4,5,6,8,9,9a-hexahydrobenzo(b)oxepine-7,2'-oxirane)-6-yl)ethyl)-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione, (4aR)-5-{2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxo-octahydro-2H-spiro[1-benzoxepine-7,2'-oxiran]-6-yl]ethyl}-8-hydroxy-1,1,4a,6-tetramethyl-1,2,3,4,4a,7-hexahydronaphthalene-2,7-dione, (4aR)-8-Hydroxy-1,1,4a,6-tetramethyl-5-{2-[(2'S,5aS,6S,9aS)-2,2,5a-trimethyl-3-oxooctahydro-6H-spiro[[1]benzoxepine-7,2'-oxiran]-6-yl]ethyl}-4,4a-dihydronaphthalene-2,7(1H,3H)-dione
| Molecular Formula | C30H42O6 |
|---|---|
| Molecular Weight | 498.30 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.29813 |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 172854-77-2 |
|---|---|
| SMILES | CC1=C([C@]2(CCC(=O)C(C2=C(C1=O)O)(C)C)C)CC[C@H]3[C@@]4(CCC(=O)C(O[C@H]4CC[C@@]35CO5)(C)C)C |
| InChIKey | NNSDVWQYMDQAMP-CYSGHGSPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodwanone G (CAS 172854-77-2), with molecular formula C30H42O6 and molecular weight 498.30 g/mol. IUPAC: (4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione.
Chemical Property Profile of Sodwanone G
Property Insights of Sodwanone G
The XLogP value of 3.4 indicates that Sodwanone G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodwanone G. Following Lipinski's Rule of Five, Sodwanone G has 1 hydrogen bond donor(s) and 6 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 Sodwanone G?
The CAS number of Sodwanone G is 172854-77-2.
What is the molecular formula of Sodwanone G?
The molecular formula of Sodwanone G is C30H42O6.
What is the molecular weight of Sodwanone G?
The molecular weight of Sodwanone G is 498.30 g/mol.
Where can I buy Sodwanone G?
You can request a quote for Sodwanone G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodwanone G?
Yes, KEHONG BIO provides custom synthesis services for Sodwanone G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.