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Phenol, 2-[[[(3.beta.,20S)-3-(methylamino)pregn-5-en-20-yl]imino]methyl]-
SpectraBase Compound ID 78yUPXkzWmS
InChI InChI=1S/C29H42N2O/c1-19(31-18-20-7-5-6-8-27(20)32)24-11-12-25-23-10-9-21-17-22(30-4)13-15-28(21,2)26(23)14-16-29(24,25)3/h5-9,18-19,22-26,30,32H,10-17H2,1-4H3/b31-18+
InChIKey PUOHPMVILWUFFZ-FDAWAROLSA-N
Mol Weight 434.7 g/mol
Molecular Formula C29H42N2O
Exact Mass 434.329714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOJwxfqq3K2
Name Phenol, 2-[[[(3.beta.,20S)-3-(methylamino)pregn-5-en-20-yl]imino]methyl]-
CAS Registry Number 27769-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42N2O
InChI InChI=1S/C29H42N2O/c1-19(31-18-20-7-5-6-8-27(20)32)24-11-12-25-23-10-9-21-17-22(30-4)13-15-28(21,2)26(23)14-16-29(24,25)3/h5-9,18-19,22-26,30,32H,10-17H2,1-4H3/b31-18+
InChIKey PUOHPMVILWUFFZ-FDAWAROLSA-N
Molecular Weight 434.668 g/mol
SMILES N(C)C1CCC2(C3CCC4(C(C(\N=C\c5ccccc5O)C)CCC4C3CC=C2C1)C)C
SPLASH splash10-00xr-9330100000-8ef08ffaf7aee0d6ca19
Source of Spectrum O-3-810-17
Synonyms 2-((E)-([3-(Methylamino)pregn-5-en-20-yl]imino)methyl)phenol Phenol, o-[N-[3.beta.-(methylamino)pregn-5-en-20.alpha.-yl]formimidoyl]-
Wiley ID 1383124