4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-

Base Information

• Chemical Name: 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-
• CAS No.: 111188-69-3
• Molecular Formula: C26H41 N O8 . Cl H
• Molecular Weight: 532.0666
• DSSTox Substance ID: DTXSID30912021

Synonyms:111188-69-3;4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-;DTXSID30912021;C26H41NO8.ClH.1/2H2O;C26-H41-N-O8.Cl-H.1/2H2-O;3-Ethenyl-5,10,10b-trihydroxy-2,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl (morpholin-4-yl)acetate--hydrogen chloride (1/1)

Chemical Property of 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-

Chemical Property:

• Vapor Pressure: 6.61E-18mmHg at 25°C
• Boiling Point: 618.9°Cat760mmHg
• Flash Point: 328.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 531.2598950
• Heavy Atom Count: 36
• Complexity: 871

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC2(C(C(C3C(CCC(C3(C2(C1=O)O)C)O)(C)C)OC(=O)CN4CCOCC4)O)C)C=C.Cl
• Isomeric SMILES: CC1[C@H](O[C@]2([C@@H]([C@@H]([C@H]3[C@]([C@@]2(C1=O)O)([C@@H](CCC3(C)C)O)C)OC(=O)CN4CCOCC4)O)C)C=C.Cl

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