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(23S,24S,25R)-24,25-Methylene-23-methyl-27-norcholesterol
SpectraBase Compound ID CnHnIdLfeID
InChI InChI=1S/C28H46O/c1-17(23-15-18(23)2)14-19(3)24-8-9-25-22-7-6-20-16-21(29)10-12-27(20,4)26(22)11-13-28(24,25)5/h6,17-19,21-26,29H,7-16H2,1-5H3/t17-,18-,19+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey AHKHULUZLWVNAR-RXZLYAPQSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SWvhB9jBSN
Name (23S,24S,25R)-24,25-Methylene-23-methyl-27-norcholesterol
Alternate Name(s) (3beta,23S)-23-[(1R,2S)-2-methylcyclopropyl]chol-5-en-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-17(23-15-18(23)2)14-19(3)24-8-9-25-22-7-6-20-16-21(29)10-12-27(20,4)26(22)11-13-28(24,25)5/h6,17-19,21-26,29H,7-16H2,1-5H3/t17-,18-,19+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey AHKHULUZLWVNAR-RXZLYAPQSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C[C@@]([C@@]1(C[C@@]1(C)[H])[H])(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00di-0095000000-1299f09ad9910425fa53
Source of Spectrum C-114-299-31
Wiley ID 1368811