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ESTR-1-ENE-4.ALPHA.,5.ALPHA.-EPOXY-17.BETA.-OL-3-ONE(3-O-METHYLOXIME)
SpectraBase Compound ID 97nhD2MB3QO
InChI InChI=1S/C19H27NO3/c1-18-9-7-12-11(13(18)4-6-16(18)21)8-10-19-14(12)3-5-15(20-22-2)17(19)23-19/h3,5,11-14,16-17,21H,4,6-10H2,1-2H3/b20-15+
InChIKey BMHVLTAEVTXQSD-HMMYKYKNSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rBvl5LL62W
Name ESTR-1-ENE-4.BETA.,5.BETA.-EPOXY-17.BETA.-OL-3-ONE(3-O-METHYLOXIME)
Alternate Name(s) 7-HYDROXY-6A-METHYL-4A,4B,5,6,6A,7,8,9,9A,9B,10,11-DODECAHYDROCYCLOPENTA[7,8]PHENANTHRO[1,10A-B]OXIREN-2(1AH)-ONE O-METHYLOXIME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-18-9-7-12-11(13(18)4-6-16(18)21)8-10-19-14(12)3-5-15(20-22-2)17(19)23-19/h3,5,11-14,16-17,21H,4,6-10H2,1-2H3/b20-15+
InChIKey BMHVLTAEVTXQSD-HMMYKYKNSA-N
Nominal Mass 317 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C123CCC4C(CCC5(C)C(CCC45)O)C1C=C\C(=N/OC)C3O2
SPLASH splash10-014r-9785000000-6e466280389880fcdb3d
Source File Reference LMCM-51676-343B
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK