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16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)-
SpectraBase Compound ID 7V7QJf8VFzk
InChI InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3
InChIKey JODMHGJPGVMCIL-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C27H41NO
Exact Mass 395.318815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTNLFf2l378
Name 16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)-
CAS Registry Number 55836-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41NO
InChI InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3
InChIKey JODMHGJPGVMCIL-UHFFFAOYSA-N
Molecular Weight 395.631 g/mol
SMILES N1CC(CCC1C(C1C2(C(C3C(C4(C=CC(C=C4CC3)=O)C)CC2)CC1)C)C)C
SPLASH splash10-0002-9201000000-539b6f682654233bcc88
Source of Spectrum W5-33344-32192-32192
Synonyms 20-(5-Methyl-2-piperidinyl)pregna-1,4-dien-3-one 10,13-dimethyl-17-[1-(5-methyl-2-piperidinyl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-[1-(5-methyl-2-piperidyl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1367166