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9,11:15,17:26,28:32,34-Tetraetheno-12H,14H,29H,31H-tetraindeno[2,1-E:1',2'-f:2'',1'',O:1''',2'''-p][1,11]dioxacycloeicosin, [4bs-(4br@,21br@)]-
SpectraBase Compound ID HGLS64Oy2QE
InChI InChI=1S/C54H36O2/c1-5-13-45-37(9-1)41-21-17-33-25-49(41)53(45)46-14-6-2-10-38(46)42-22-18-34(26-50(42)53)30-56-32-36-20-24-44-40-12-4-8-16-48(40)54(52(44)28-36)47-15-7-3-11-39(47)43-23-19-35(27-51(43)54)31-55-29-33/h1-28H,29-32H2
InChIKey OPIIJHDGUXPESL-UHFFFAOYSA-N
Mol Weight 716.9 g/mol
Molecular Formula C54H36O2
Exact Mass 716.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G3IFJQfQ9y
Name 9,11:15,17:26,28:32,34-TETRAETHENO-12H,14H,29H,31H-TETRAINDENO[2,1-E:1',2'-F:2'',1'',O:1''',2'''-P][1,11]DIOXACYCLOEICOSIN, [4BS-(4B
Alternate Name(s) 9,11:15,17:26,28:32,34-TETRAETHENO-12H,14H,29H,31H-TETRAINDENO[2,1-E:1',2'-F:2'',1'',O:1''',2'''-P][1,11]DIOXACYCLOEICOSIN, [4BS-(4BR*,21BR*)]-
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Formula C54H36O2
InChI InChI=1S/C54H36O2/c1-5-13-45-37(9-1)41-21-17-33-25-49(41)53(45)46-14-6-2-10-38(46)42-22-18-34(26-50(42)53)30-56-32-36-20-24-44-40-12-4-8-16-48(40)54(52(44)28-36)47-15-7-3-11-39(47)43-23-19-35(27-51(43)54)31-55-29-33/h1-28H,29-32H2
InChIKey OPIIJHDGUXPESL-UHFFFAOYSA-N
Molecular Weight 716.2706
SMILES c1cc2C34c5cc(COCc6ccc7-c8ccccc8C8(c9cc(ccc9-c9c8cccc9)COCc8cc3c(cc8)-c2cc1)c7c6)ccc5-c1ccccc41
SPLASH splash10-05mo-0009000200-e9c062dad706c557b7c0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany