(-)-Gemmacolide A
TL;DR: (-)-Gemmacolide A (CAS 134887-84-6) is a chemical compound with molecular formula C30H39ClO14 and molecular weight 658.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate
Also Known As: Gemmacolide A, (-)-Gemmacolide A, (1R,3aR,4S,8S,8aS,9R,10R,11R,12aS,13S,13aR)-4-Chloro-13a-hydroxy-1,8a-dimethyl-5-methylidene-2-oxotetradecahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-8,9,10,11,13-pentayl pentaacetate, 4-Chloro-13a-hydroxy-1,8a-dimethyl-5-methylidene-2-oxotetradecahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-8,9,10,11,13-pentayl pentaacetate
| Molecular Formula | C30H39ClO14 |
|---|---|
| Molecular Weight | 658.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.2028 |
| Heavy Atoms | 45 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 134887-84-6 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](CCC(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
| InChIKey | RVARBBKIGSFITE-FPVYFMRZSA-N |
Product Overview
(-)-Gemmacolide A (CAS 134887-84-6), with molecular formula C30H39ClO14 and molecular weight 658.20 g/mol. IUPAC: [(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate.
Chemical Property Profile of (-)-Gemmacolide A
Property Insights of (-)-Gemmacolide A
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Gemmacolide A. The TPSA of 191.0 Ų indicates high polarity, suggesting (-)-Gemmacolide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Gemmacolide A has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-Gemmacolide A?
The CAS number of (-)-Gemmacolide A is 134887-84-6.
What is the molecular formula of (-)-Gemmacolide A?
The molecular formula of (-)-Gemmacolide A is C30H39ClO14.
What is the molecular weight of (-)-Gemmacolide A?
The molecular weight of (-)-Gemmacolide A is 658.20 g/mol.
Where can I buy (-)-Gemmacolide A?
You can request a quote for (-)-Gemmacolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Gemmacolide A?
Yes, KEHONG BIO provides custom synthesis services for (-)-Gemmacolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.