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77732-43-5

77732-43-5 | Spiro[naphth[1,2-b]oxirene-5(1aH),2'-oxirane]-3'-carboxamide,2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3',3a-trimethyl-6-oxo-,(1aR,2R,2'R,3R,3'S,3aR,7bS)-

CAS No: 77732-43-5 Catalog No: AG005G1Y MDL No:

Product Description

Catalog Number:
AG005G1Y
Chemical Name:
Spiro[naphth[1,2-b]oxirene-5(1aH),2'-oxirane]-3'-carboxamide,2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3',3a-trimethyl-6-oxo-,(1aR,2R,2'R,3R,3'S,3aR,7bS)-
CAS Number:
77732-43-5
Molecular Formula:
C17H21NO6
Molecular Weight:
335.3517
IUPAC Name:
[(1aR)-3'-carbamoyl-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
InChI:
InChI=1S/C17H21NO6/c1-7-11(22-8(2)19)13-12(23-13)9-5-10(20)17(6-15(7,9)3)16(4,24-17)14(18)21/h5,7,11-13H,6H2,1-4H3,(H2,18,21)/t7?,11?,12?,13-,15?,16?,17?/m1/s1
InChI Key:
ASDRLEIRFUEAND-CYJYABBKSA-N
SMILES:
CC(=O)OC1[C@H]2OC2C2=CC(=O)C3(CC2(C1C)C)OC3(C)C(=O)N

Properties

Complexity:
716  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
335.137g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.356g/mol
Monoisotopic Mass:
335.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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