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17.beta.-(t-Butoxy)-3-methoxy-9.beta.-estra-1,3,5(10),6,11(12)-pentaene
SpectraBase Compound ID 6ueJW14o9Ss
InChI InChI=1S/C23H30O2/c1-22(2,3)25-21-11-10-20-19-8-6-15-14-16(24-5)7-9-17(15)18(19)12-13-23(20,21)4/h6-9,12-14,18-21H,10-11H2,1-5H3/t18-,19+,20-,21-,23-/m0/s1
InChIKey KYJVZSYWXAYVBG-FLQYYVGBSA-N
Mol Weight 338.49 g/mol
Molecular Formula C23H30O2
Exact Mass 338.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FUUOaekriB
Name 17.beta.-(t-Butoxy)-3-methoxy-9.beta.-estra-1,3,5(10),6,11(12)-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O2
InChI InChI=1S/C23H30O2/c1-22(2,3)25-21-11-10-20-19-8-6-15-14-16(24-5)7-9-17(15)18(19)12-13-23(20,21)4/h6-9,12-14,18-21H,10-11H2,1-5H3/t18-,19+,20-,21-,23-/m0/s1
InChIKey KYJVZSYWXAYVBG-FLQYYVGBSA-N
Molecular Weight 338.491 g/mol
SMILES [C@@]12([C@]([C@@]3(C=Cc4c([C@@]3(C=C2)[H])ccc(OC)c4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-03e9-2091000000-8727209e7b5413290162
Source of Spectrum C-120-8976-1
Synonyms (8S,9R,13S,14S,17S)-17-tert-butoxy-3-methoxy-13-methyl-8,9,14,15,16,17-hexahydrocyclopenta[a]phenanthrene (8S,9R,13S,14S,17S)-3-methoxy-13-methyl-17-[(2-methylpropan-2-yl)oxy]-8,9,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
Wiley ID 760979