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(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID GtVdxOeZN3G
InChI InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
InChIKey VVNGDHRMTZOFJP-YWBSXBTGSA-N
Mol Weight 405.7 g/mol
Molecular Formula C26H47NO2
Exact Mass 405.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kscIt65ien
Name (3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H47NO2
InChI InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
InChIKey VVNGDHRMTZOFJP-YWBSXBTGSA-N
Molecular Weight 405.667 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(CCCCCCCN)[H])O)C)[H])C)[H]
SPLASH splash10-03di-0090200000-df29b0482e8f92e2a096
Source of Spectrum F2-43-2345-38
Synonyms (3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-azanylheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600717