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27-Norergostan-3-ol, 25-ethyl-, (3.beta.,5.alpha.,24R,25S)-
SpectraBase Compound ID 4iEXIgZ6t7g
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+/m0/s1
InChIKey XMHXWXADUXBTPW-GNFRWFFXSA-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 880HzewH6s7
Name 27-Norergostan-3-ol, 25-ethyl-, (3.beta.,5.alpha.,24R,25S)-
Alternate Name(s) (24S,25R)-5,6-Dihydro-5.alpha.-aplysterol (1S,2S,5S,7S,10R,11S,14R,15R)-14-[(2R,5R,6S)-5,6-dimethyloctan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol (24R,25S)-5,6-dihydro-5.alpha.-aplysterol
CAS Registry Number 91279-35-5
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+/m0/s1
InChIKey XMHXWXADUXBTPW-GNFRWFFXSA-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 splash10-0a4i-9060200000-182435ecc7e1cbc4d9d5
Source of Spectrum C-106-5621-0
Wiley ID 1376708