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79648-72-9 | 3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione,7-(acetyloxy) -4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenyl methyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-
CAS No: 79648-72-9 Catalog No: AG00GR2L MDL No:
Product Description
Catalog Number:
AG00GR2L
Chemical Name:
3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione,7-(acetyloxy) -4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenyl methyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-
CAS Number:
79648-72-9
IUPAC Name:
[(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-19-benzyl-7,9,16,17-tetramethyl-2,5,21-trioxo-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-trien-6-yl] acetate
InChI:
InChI=1S/C32H37NO6/c1-18-10-9-13-23-29-31(5,39-29)20(3)27-24(17-22-11-7-6-8-12-22)33-30(37)32(23,27)26(36)15-14-25(35)28(19(2)16-18)38-21(4)34/h6-9,11-16,18,20,23-24,27-29H,10,17H2,1-5H3,(H,33,37)/b13-9+,15-14+,19-16-/t18-,20-,23-,24-,27-,28+,29-,31+,32+/m0/s1
InChI Key:
AZWOSJCABFILKS-XZRSCLCVSA-N
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
3
Exact Mass:
531.262g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.649g/mol
Monoisotopic Mass:
531.262g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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