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(20S)-6,6-Ethylendioxy-20-ethenyl-5.alpha.-pregn-2-en-6-one
SpectraBase Compound ID Avd55FoDVDw
InChI InChI=1S/C25H38O2/c1-5-17(2)19-9-10-20-18-16-25(26-14-15-27-25)22-8-6-7-12-24(22,4)21(18)11-13-23(19,20)3/h5-7,17-22H,1,8-16H2,2-4H3/t17-,18+,19-,20+,21+,22+,23-,24-/m1/s1
InChIKey DFDBLXPPQCRUJQ-FMWNHXNPSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEbkGKMYJAM
Name (20S)-6,6-Ethylendioxy-20-ethenyl-5.alpha.-pregn-2-en-6-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-5-17(2)19-9-10-20-18-16-25(26-14-15-27-25)22-8-6-7-12-24(22,4)21(18)11-13-23(19,20)3/h5-7,17-22H,1,8-16H2,2-4H3/t17-,18+,19-,20+,21+,22+,23-,24-/m1/s1
InChIKey DFDBLXPPQCRUJQ-FMWNHXNPSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm900495f
Molecular Weight 370.577 g/mol
Optical Rotation [a]D20 = +52.6 (c = 0.22, CHCl3)
Reported Formula C25H38O2
SMILES C=1C[C@]2([C@](CC1)(C1(C[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@@]2([C@](C)(C=C)[H])[H])[H])C)[H])[H])OCCO1)[H])C
SPLASH splash10-001i-0294000000-4e1debb55610f8205222
Source of Spectrum AF-52-SM4-6
Thin-Layer Chromatography Rf = 0.48 (hexane/Et2O, 10:1)
Wiley ID 1873622