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17-BETA-TERT.-BUTOXY-3-METHOXY-6-OXAESTRA-1,3,5(10)-TRIEN-7-ONE
SpectraBase Compound ID GUF2uN82pAI
InChI InChI=1S/C22H30O4/c1-21(2,3)26-18-9-8-16-19-15(10-11-22(16,18)4)14-7-6-13(24-5)12-17(14)25-20(19)23/h6-7,12,15-16,18-19H,8-11H2,1-5H3/t15-,16+,18+,19-,22+/m1/s1
InChIKey JILDNSLKHVRDGY-OPWWHNRLSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJOGLaYyWBA
Name 17.beta.-(t-Butoxy)-3-methoxy-6-oxaestra-1,3,5(10)-trien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-21(2,3)26-18-9-8-16-19-15(10-11-22(16,18)4)14-7-6-13(24-5)12-17(14)25-20(19)23/h6-7,12,15-16,18-19H,8-11H2,1-5H3/t15-,16+,18+,19-,22+/m1/s1
InChIKey JILDNSLKHVRDGY-OPWWHNRLSA-N
Molecular Weight 358.478 g/mol
SMILES c1(ccc2c(c1)OC([C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(C)(C)C)[H])[H])[H])=O)OC
SPLASH splash10-056r-3902000000-3cbd3cc17faaab96f0c9
Source of Spectrum B-51-1011-10
Synonyms (1S,3aS,3bS,9bS,11aS)-1-tert-butoxy-7-methoxy-11a-methyl-2,3,3a,3b,9b,10,11,11a-octahydroindeno[4,5-c]chromen-4(1H)-one
Wiley ID 745930