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6.beta.-Methoxy-3.alpha.,5..alpha.-cyclo.,14.beta.-androstane-17.beta.-carbonitrile
SpectraBase Compound ID 4UO3jrpYuIY
InChI InChI=1S/C21H31NO/c1-19-8-7-17-15(16(19)5-4-14(19)12-22)10-18(23-3)21-11-13(21)6-9-20(17,21)2/h13-18H,4-11H2,1-3H3/t13-,14+,15?,16+,17?,18+,19+,20+,21+/m0/s1
InChIKey MYTROXJLCIIROB-YUUJZUHHSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iaa9w9mct7j
Name 6.beta.-Methoxy-3.alpha.,5..alpha.-cyclo.,14.beta.-androstane-17.beta.-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-19-8-7-17-15(16(19)5-4-14(19)12-22)10-18(23-3)21-11-13(21)6-9-20(17,21)2/h13-18H,4-11H2,1-3H3/t13-,14+,15?,16+,17?,18+,19+,20+,21+/m0/s1
InChIKey MYTROXJLCIIROB-YUUJZUHHSA-N
Molecular Weight 313.485 g/mol
SMILES [C@]123[C@@](C4CC[C@]5([C@@](C4C[C@]3(OC)[H])(CC[C@@]5(C#N)[H])[H])C)(CC[C@]1(C2)[H])C
SPLASH splash10-0a5a-0091000000-bd1e2b6d536d4f343d57
Source of Spectrum G-59-2702-0
Synonyms (1aS,3aR,5aS,6S,8aR,10R,10aS)-10-methoxy-3a,5a-dimethylhexadecahydrocyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6-carbonitrile 6.beta.-Methoxsy-3.alpha.,5-cyclo-5.alpha.,14.beta.-androstane-17.beta.-carbonitrile
Wiley ID 748752