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20-EPI-3-DEHYDROXY-3-OXO-5,6-DIHYDRO-4,5-DEHYDROVERAZINE;(20R,25S)-3-OXO-22,26-IMINOCHOLESTA-4,22(N)-DIENE
SpectraBase Compound ID 4OkhtAdTweM
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/h15,17-18,21-24H,5-14,16H2,1-4H3/t17-,18+,21-,22+,23-,24-,26-,27+/m0/s1
InChIKey LGMIOFBBNYCMNF-FWCABEFESA-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 6kHRK1BwayG
Name (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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/h15,17-18,21-24H,5-14,16H2,1-4H3/t17-,18+,21-,22+,23-,24-,26-,27+/m0/s1
InChIKey LGMIOFBBNYCMNF-FWCABEFESA-N
Molecular Weight 395.631 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@](C1=NC[C@](CC1)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-06wc-7901000000-ee4c34709626402d7615
Source of Spectrum G4-61-1206-1
Wiley ID 1607429