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3,15alpha,16alpha,17beta-TETRAMETHOXY-1,3,5(10)-ESTRATRIENE
SpectraBase Compound ID zwgEYe3Okh
InChI InChI=1S/C22H32O4/c1-22-11-10-16-15-9-7-14(23-2)12-13(15)6-8-17(16)18(22)19(24-3)20(25-4)21(22)26-5/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21+,22+/m1/s1
InChIKey JSVZGJSWQSWJNU-ZEVCKCCMSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7W6aibjFOhc
Name 3,15.ALPHA.,16.ALPHA.,17.BETA.-TETRAMETHOXY-1,3,5(10)-ESTRATRIENE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-22-11-10-16-15-9-7-14(23-2)12-13(15)6-8-17(16)18(22)19(24-3)20(25-4)21(22)26-5/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21+,22+/m1/s1
InChIKey JSVZGJSWQSWJNU-ZEVCKCCMSA-N
Molecular Weight 360.494 g/mol
Nominal Mass 360 u
Number of Peaks 182
SMILES c1(ccc2[C@]3(CC[C@@]4([C@]([C@@]([C@@]([C@]4([C@@]3(CCc2c1)[H])[H])(OC)[H])(OC)[H])(OC)[H])C)[H])OC
SPLASH splash10-004i-6961000000-da2f94a3c4fce59e242d
Source File Reference LMCM-37543-285B
Source of Spectrum TU Eindhoven, NL
Synonyms 3,15,16,17-TETRAMETHOXYESTRA-1(10),2,4-TRIENE (1S,10R,11S,12R,13R,14R,15S)-5,12,13,14-tetramethoxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene
Wiley ID 8_9255