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Androst-16-ene-17-carboxylic acid, (5.alpha.)-
SpectraBase Compound ID I7um4FAWVOj
InChI InChI=1S/C20H30O2/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(18(21)22)20(15,2)12-10-16(14)19/h9,13-16H,3-8,10-12H2,1-2H3,(H,21,22)
InChIKey NXXMHMXFPWHQSK-UHFFFAOYSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID c9fv250Yi
Name Androst-16-ene-17-carboxylic acid, (5.alpha.)-
CAS Registry Number 54411-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(18(21)22)20(15,2)12-10-16(14)19/h9,13-16H,3-8,10-12H2,1-2H3,(H,21,22)
InChIKey NXXMHMXFPWHQSK-UHFFFAOYSA-N
Molecular Weight 302.458 g/mol
SMILES OC(C=1C2(C)C(C3C(CC2)C2(C)C(CC3)CCCC2)CC1)=O
SPLASH splash10-0k9i-9552000000-a1e0325ae16876343853
Source of Spectrum SD-1981-0-0
Synonyms Androst-16-ene-17-carboxylic acid 10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Wiley ID 44969