1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.

Base Information

• Chemical Name: 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.
• CAS No.: 115116-41-1
• Molecular Formula: C28H45 N O7 . Cl H
• Molecular Weight: 544.1203
• DSSTox Substance ID: DTXSID70921632

Synonyms:115116-41-1;1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.;1-Piperidinepropanoic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, hydrochloride, hydrate (2:2:3);DTXSID70921632;1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. (9CI);C28H45NO7.ClH.3/2H2O;C28-H45-N-O7.Cl-H.3/2H2-O;3-Ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl 3-(piperidin-1-yl)propanoate--hydrogen chloride (1/1)

Chemical Property of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.

Chemical Property:

• Vapor Pressure: 2.4E-18mmHg at 25°C
• Boiling Point: 626.9°Cat760mmHg
• Flash Point: 332.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 543.2962805
• Heavy Atom Count: 37
• Complexity: 900

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)OC(=O)CCN4CCCCC4)C)O)C.Cl
• Isomeric SMILES: C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)O)OC(=O)CCN4CCCCC4)(C)C)O)C)O)C=C.Cl

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