3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one
TL;DR: 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one (CAS 4701-54-6) is a chemical compound with molecular formula C29H44O4 and molecular weight 456.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,7S,8R,11S,12R,13R,15S)-8,13-dihydroxy-2,7,11,20-tetramethyl-17-(4-methylpent-3-enyl)-19-oxapentacyclo[14.3.1.02,15.03,12.06,11]icos-16-en-18-one
Also Known As: 16-O-Deacetylfusidic acid lactone, KST-1A5753, (5ar,5bs,8s,9r,11as,11br,12r,13as)-9,12-dihydroxy-5a,8,11a,14-tetramethyl-2-(4-methylpent-3-en-1-yl)-5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-tetradecahydro-1,5-methanophenanthro[1,2-c]oxepin-3(5h)-one, 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one, 3alpha,11alpha-Dihydroxy-4alpha,14,16-trimethyl-8alpha,9beta,13alpha,14beta-15,21-epoxy-18-norcholesta-17,24-dien-21-one
| Molecular Formula | C29H44O4 |
|---|---|
| Molecular Weight | 456.32 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.32397 |
| Heavy Atoms | 33 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 4701-54-6 |
|---|---|
| SMILES | C[C@@H]1[C@@H](CC[C@]2(C1CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(C5C(C4=C(C(=O)O5)CCC=C(C)C)C)C)O)C)O |
| InChIKey | VJLJIUMMRHGGOQ-NLANOYDCSA-N |
Product Overview
3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one (CAS 4701-54-6), with molecular formula C29H44O4 and molecular weight 456.32 g/mol. IUPAC: (2R,3S,7S,8R,11S,12R,13R,15S)-8,13-dihydroxy-2,7,11,20-tetramethyl-17-(4-methylpent-3-enyl)-19-oxapentacyclo[14.3.1.02,15.03,12.06,11]icos-16-en-18-one.
Chemical Property Profile of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one
Property Insights of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one
The XLogP value of 5.8 indicates that 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one. Following Lipinski's Rule of Five, 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one?
The CAS number of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one is 4701-54-6.
What is the molecular formula of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one?
The molecular formula of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one is C29H44O4.
What is the molecular weight of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one?
The molecular weight of 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one is 456.32 g/mol.
Where can I buy 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one?
You can request a quote for 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one?
Yes, KEHONG BIO provides custom synthesis services for 3,11-Dihydroxy-4,14,16-trimethyl-15,21-epoxy-18-norcholesta-17,24-dien-21-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.