4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-
TL;DR: 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- (CAS 105535-53-3) is a chemical compound with molecular formula C26H42ClNO8 and molecular weight 531.2599 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-morpholin-4-ylacetate;hydrochloride
Also Known As: 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-, 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv., (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-Ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-5-yl (morpholin-4-yl)acetate--hydrogen chloride (1/1), [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-morpholin-4-ylacetate hydrochloride
Technical Specifications
| Molecular Formula | C26H42ClNO8 |
| Molecular Weight | 531.2599 g/mol |
| XLogP | 1.254 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.2599 Da |
| Heavy Atoms | 36 |
| Complexity | 887.0 |
| SMILES | C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CN4CCOCC4)O)(C)C)O)C)O)C=C.Cl |
| InChIKey | UFGYVEUZOABNTE-OYNLGCBQSA-N |
Chemical Property Profile of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-
Property Insights of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-
The XLogP value of 1.254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-. Following Lipinski's Rule of Five, 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-?
The CAS number of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- is 105535-53-3.
What is the molecular formula of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-?
The molecular formula of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- is C26H42ClNO8.
What is the molecular weight of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-?
The molecular weight of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- is 531.2599 g/mol.
Where can I buy 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-?
You can request a quote for 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-?
Yes, CoreyChem provides custom synthesis services for 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.