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1,4-Dimethoxy-14-methyl-estra-1,3,5(10),7-tetraen-17-one
SpectraBase Compound ID 7cAJz8Z7xRi
InChI InChI=1S/C21H26O3/c1-20-12-10-18(22)21(20,2)11-9-13-15(20)6-5-14-16(23-3)7-8-17(24-4)19(13)14/h6-8,13H,5,9-12H2,1-4H3/t13-,20?,21+/m0/s1
InChIKey ZIPSCBQPNUQTRP-TVBJOMNCSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5r3KjmBRgY
Name 1,4-Dimethoxy-14-methyl-estra-1,3,5(10),7-tetraen-17-one
CAS Registry Number 107648-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-20-12-10-18(22)21(20,2)11-9-13-15(20)6-5-14-16(23-3)7-8-17(24-4)19(13)14/h6-8,13H,5,9-12H2,1-4H3/t13-,20?,21+/m0/s1
InChIKey ZIPSCBQPNUQTRP-TVBJOMNCSA-N
Molecular Weight 326.436 g/mol
SMILES C1=2C3([C@](C(=O)CC3)(C)CC[C@@]1(c1c(ccc(c1CC2)OC)OC)[H])C
SPLASH splash10-004i-0009000000-185303e6402bbfebe476
Source of Spectrum F-42-3449-10
Wiley ID 1325101