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2-Deoxy-24-epibrassinolide

View entire compound with spectra: 1 MS (GC)

2-Deoxy-24-epibrassinolide
SpectraBase Compound ID 92vKDHlPogl
InChI InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17+,18-,19?,20?,21?,22?,23?,24-,25-,27-,28-/m1/s1
InChIKey LLFIMDUWAVPJEJ-KRRGFJRSSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H48O5
Exact Mass 464.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tWXlxhZFQ
Name 2-Deoxy-24-epibrassinolide
Alternate Name(s) (8R,10aR,12aS)-1-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethylhexyl]-8-hydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O5
InChI InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17+,18-,19?,20?,21?,22?,23?,24-,25-,27-,28-/m1/s1
InChIKey LLFIMDUWAVPJEJ-KRRGFJRSSA-N
Molecular Weight 464.687 g/mol
SMILES O[C@@]1(CC[C@]2(C(C(OCC3C4[C@@](C([C@@]([C@]([C@@]([C@@](C(C)C)(C)[H])(O)[H])(O)[H])(C)[H])CC4)(CCC23)C)=O)C1)C)[H]
SPLASH splash10-03di-0009000000-09edf982925f4e0d6419
Source of Spectrum F-52-2002-8
Wiley ID 795161