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2-Secoandrosta-1,6-diene-17,19-diol, 2-cyano-4-methylene-, diacetate

View entire compound with spectra: 2 MS (GC)

2-Secoandrosta-1,6-diene-17,19-diol, 2-cyano-4-methylene-, diacetate
SpectraBase Compound ID 5Gkxv7DQVWa
InChI InChI=1S/C25H33NO4/c1-16(2)20-8-7-19-21-9-10-23(30-18(4)28)24(21,5)13-11-22(19)25(20,12-6-14-26)15-29-17(3)27/h6-8,12,19-23H,1,9-11,13,15H2,2-5H3
InChIKey TZAYDMCKPRRXFB-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbd7M1CXAAR
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-16(2)20-8-7-19-21-9-10-23(30-18(4)28)24(21,5)13-11-22(19)25(20,12-6-14-26)15-29-17(3)27/h6-8,12,19-23H,1,9-11,13,15H2,2-5H3
InChIKey TZAYDMCKPRRXFB-UHFFFAOYSA-N
Molecular Weight 411.2401
SMILES C(#N)C=CC1(C(C(C)=C)C=CC2C3CCC(OC(=O)C)C3(C)CCC12)COC(=O)C
SPLASH splash10-0006-7951000000-269cbae3757306bec1f2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany