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73376-38-2

73376-38-2 | (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol

CAS No: 73376-38-2 Catalog No: AG005EJE MDL No:

Product Description

Catalog Number:
AG005EJE
Chemical Name:
(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CAS Number:
73376-38-2
Molecular Formula:
C16H29NO2
Molecular Weight:
267.4070
IUPAC Name:
(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
InChI:
InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
InChI Key:
LWXKAVPXEDNHLL-VRUXTKGDSA-N
SMILES:
CCCC[C@H](/C=C/1\CN2CCC[C@H]2[C@@]([C@@H]1O)(C)O)C
NSC Number:
699383

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
1  
Exact Mass:
267.22g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.413g/mol
Monoisotopic Mass:
267.22g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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