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15-(3-Methoxybenzylidene)-17.alpha.-methyl-18-nor-5.alpha.,13.alpha.-androstan-16-one
SpectraBase Compound ID 1n0iijrGqwR
InChI InChI=1S/C27H36O2/c1-17-21-12-13-24-22(11-10-19-8-4-5-14-27(19,24)2)25(21)23(26(17)28)16-18-7-6-9-20(15-18)29-3/h6-7,9,15-17,19,21-22,24-25H,4-5,8,10-14H2,1-3H3/t17-,19+,21-,22+,24-,25+,27-/m0/s1
InChIKey SRXAHXJKLSPFAR-FBVXBVCTSA-N
Mol Weight 392.6 g/mol
Molecular Formula C27H36O2
Exact Mass 392.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KciHZdxBlu4
Name 15-(3-Methoxybenzylidene)-17.alpha.-methyl-18-nor-5.alpha.,13.alpha.-androstan-16-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.271530397 u
Formula C27H36O2
GC Column SBA-15 (30 m)
InChI InChI=1S/C27H36O2/c1-17-21-12-13-24-22(11-10-19-8-4-5-14-27(19,24)2)25(21)23(26(17)28)16-18-7-6-9-20(15-18)29-3/h6-7,9,15-17,19,21-22,24-25H,4-5,8,10-14H2,1-3H3/t17-,19+,21-,22+,24-,25+,27-/m0/s1
InChIKey SRXAHXJKLSPFAR-FBVXBVCTSA-N
Instrument Name Shimadzu GCMS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300560
Molecular Weight 392.583 g/mol
Quality 308
Reported Formula C27H36O2
SMILES C1C[C@]2([C@](CC1)(CC[C@@]1([C@@]2(CC[C@@]2([C@]1(C(C([C@]2(C)[H])=O)=CC1=CC(=CC=C1)OC)[H])[H])[H])[H])[H])C
SPLASH splash10-08fu-9203000000-37dedf1e9f0248735847
Source of Spectrum K1-26-SM35-3i (DOI: 10.1002/ejoc.202300560)
Thin-Layer Chromatography 0.55 (silica, n-hexane/EtOAc, 8:1)
Wiley ID 1911441