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18-.beta.-(t-Butoxy)-3-methoxy-9-.beta.-D-homo-estrane-1,3,5(10),6,11-pentaene
SpectraBase Compound ID 4JQsVnXZ21A
InChI InChI=1S/C24H32O2/c1-23(2,3)26-22-8-6-7-21-20-11-9-16-15-17(25-5)10-12-18(16)19(20)13-14-24(21,22)4/h9-15,19-22H,6-8H2,1-5H3/t19?,20?,21-,22-,24-/m0/s1
InChIKey HBIDCBMIOZWHJK-WMOILFFISA-N
Mol Weight 352.5 g/mol
Molecular Formula C24H32O2
Exact Mass 352.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DHPRI3G0MR
Name 18-.beta.-(t-Butoxy)-3-methoxy-9-.beta.-D-homo-estrane-1,3,5(10),6,11-pentaene
Alternate Name(s) (1S,4aS,12aS)-1-tert-butoxy-8-methoxy-12a-methyl-1,2,3,4,4a,4b,10b,12a-octahydrochrysene Chrysene
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Formula C24H32O2
InChI InChI=1S/C24H32O2/c1-23(2,3)26-22-8-6-7-21-20-11-9-16-15-17(25-5)10-12-18(16)19(20)13-14-24(21,22)4/h9-15,19-22H,6-8H2,1-5H3/t19?,20?,21-,22-,24-/m0/s1
InChIKey HBIDCBMIOZWHJK-WMOILFFISA-N
Molecular Weight 352.518 g/mol
SMILES [C@]12(C=CC3C([C@@]2(CCC[C@@]1(OC(C)(C)C)[H])[H])C=Cc1cc(OC)ccc31)C
SPLASH splash10-0kk9-8595000000-1024c2ffda0ed2c19988
Source of Spectrum K1-2000-1830-1
Wiley ID 750252