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))-

Base Information

• Chemical Name: 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 No.: 105535-53-3
• Molecular Formula: C26H41 N O8 . Cl H
• Molecular Weight: 532.0666
• DSSTox Substance ID: DTXSID90147195

Synonyms:105535-53-3;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))-;C26H41NO8.ClH;SCHEMBL10762345;DTXSID90147195;LS-92353

Chemical Property 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))-

Chemical Property:

• Vapor Pressure: 1.8E-17mmHg at 25°C
• Boiling Point: 610.8°C at 760 mmHg
• Flash Point: 323.2°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 531.2598950
• Heavy Atom Count: 36
• Complexity: 887

Purity/Quality:

Safty Information:

• Pictogram(s):  
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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)OC(=O)CN4CCOCC4)O)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)OC(=O)CN4CCOCC4)O)(C)C)O)C)O)C=C.Cl

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