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27-Norergostan-3-ol, 25-ethyl-, (3.beta.,5.alpha.,24R,25R)-
SpectraBase Compound ID KfQ9xb8PXPx
InChI InChI=1S/C29H52O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t19-,20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey XMHXWXADUXBTPW-OMRRTTHRSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPvLQCdsMAu
Name 27-Norergostan-3-ol, 25-ethyl-, (3.beta.,5.alpha.,24R,25R)-
CAS Registry Number 91279-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t19-,20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey XMHXWXADUXBTPW-OMRRTTHRSA-N
Molecular Weight 416.734 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([C@@](CC[C@]([C@@](CC)(C)[H])(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0aor-8090400000-c16a127b9338f38232c1
Source of Spectrum C-106-5621-0
Synonyms (1S,2S,5S,7S,10R,11S,14R,15R)-14-[(2R,5R,6R)-5,6-dimethyloctan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol (24R,25R)-5,6-dihydro-5.alpha.-aplysterol (24S,25S)-5,6-dihydro-5.alpha.-aplysterol
Wiley ID 1376706