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16.alpha.-Hydroxy-7.alpha.-methyl-3,3-(ethylenedioxy)-5(10)-estren-17-one
SpectraBase Compound ID 4fRtPJ2qpuZ
InChI InChI=1S/C21H30O4/c1-12-9-13-11-21(24-7-8-25-21)6-4-14(13)15-3-5-20(2)16(18(12)15)10-17(22)19(20)23/h12,15-18,22H,3-11H2,1-2H3/t12-,15-,16+,17-,18-,20+/m1/s1
InChIKey ADAUDJSEJDVBMD-GNFAGQSESA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FotIVRCpC8x
Name 16.alpha.-Hydroxy-7.alpha.-methyl-3,3-(ethylenedioxy)-5(10)-estren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12-9-13-11-21(24-7-8-25-21)6-4-14(13)15-3-5-20(2)16(18(12)15)10-17(22)19(20)23/h12,15-18,22H,3-11H2,1-2H3/t12-,15-,16+,17-,18-,20+/m1/s1
InChIKey ADAUDJSEJDVBMD-GNFAGQSESA-N
Molecular Weight 346.467 g/mol
SMILES O[C@]1(C([C@@]2([C@]([C@@]3([C@@](CC4=C([C@]3(CC2)[H])CCC2(OCCO2)C4)(C)[H])[H])(C1)[H])C)=O)[H]
SPLASH splash10-000j-9001000000-5fd4c561359d6553cf5a
Source of Spectrum E1-35-2126-35
Synonyms (1'S,9'R,10'R,11'S,13'R,15'S)-13'-hydroxy-9',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-2'(7')-en-14'-one
Wiley ID 1574349