3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione
TL;DR: 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione (CAS 22263-79-2) is a chemical compound with molecular formula C29H42O6 and molecular weight 486.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1R,2S,3S)-1,2-dihydroxy-3-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyl-2,3-dihydropyran-6-one
Also Known As: Antheridiol, 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione, (22S,23R)-3beta,22,23-Trihydroxy-24~2~,26-epoxystigmasta-5,24(24~1~)-diene-7,24~2~-dione, 4-[(1R,2S,3S)-1,2-dihydroxy-3-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyl-2,3-dihydropyran-6-one
| Molecular Formula | C29H42O6 |
|---|---|
| Molecular Weight | 486.30 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.29813 |
| Heavy Atoms | 35 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 22263-79-2 |
|---|---|
| SMILES | CC1COC(=O)C=C1[C@H]([C@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C(=O)C=C5[C@@]4(CC[C@@H](C5)O)C)C)O)O |
| InChIKey | WHYZWKJWWNQRQQ-KKMNXKHISA-N |
Product Overview
3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione (CAS 22263-79-2), with molecular formula C29H42O6 and molecular weight 486.30 g/mol. IUPAC: 4-[(1R,2S,3S)-1,2-dihydroxy-3-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyl-2,3-dihydropyran-6-one.
Chemical Property Profile of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione
Property Insights of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione
The XLogP value of 3.4 indicates that 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione. Following Lipinski's Rule of Five, 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione has 3 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 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione?
The CAS number of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione is 22263-79-2.
What is the molecular formula of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione?
The molecular formula of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione is C29H42O6.
What is the molecular weight of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione?
The molecular weight of 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione is 486.30 g/mol.
Where can I buy 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione?
You can request a quote for 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,22,23-Trihydroxy-27,29-epoxystigmasta-5,24(28)-diene-7,29-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.