Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-
TL;DR: Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- (CAS 79495-90-2) is a chemical compound with molecular formula C28H42O9 and molecular weight 522.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4aR,5S,6R,8S,8aR)-5-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
Also Known As: Ivain Ii, Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate, [(1R,2S,4aR,5S,6R,8S,8aR)-5-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate, 8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
| Molecular Formula | C28H42O9 |
|---|---|
| Molecular Weight | 522.28 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.2829 |
| Heavy Atoms | 37 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 79495-90-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4CCO[C@H]4O3)CC[C@@H]([C@]25CO5)OC(=O)C(C)C)COC(=O)C)OC(=O)C |
| InChIKey | PWKXWHAZACEABO-JTWZBBRBSA-N |
Product Overview
Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- (CAS 79495-90-2), with molecular formula C28H42O9 and molecular weight 522.28 g/mol. IUPAC: [(1R,2S,4aR,5S,6R,8S,8aR)-5-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate.
Chemical Property Profile of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-
Property Insights of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-
The XLogP value of 3.5 indicates that Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-. Following Lipinski's Rule of Five, Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-?
The CAS number of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- is 79495-90-2.
What is the molecular formula of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-?
The molecular formula of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- is C28H42O9.
What is the molecular weight of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-?
The molecular weight of Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- is 522.28 g/mol.
Where can I buy Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-?
You can request a quote for Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.