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Cycloart-25-ene-3.beta.,24-diol
SpectraBase Compound ID BYEhIliRwiN
InChI InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey MHGLNDDJLDJDBG-GSYFYXRESA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF09Mw45pkP
Name Cycloart-25-ene-3.beta.,24-diol
Appearance Amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey MHGLNDDJLDJDBG-GSYFYXRESA-N
Instrument Name Kratos MS25RF
Ionization Type EI
Literature Reference DOI 10.1021/np060046r
Molecular Weight 442.728 g/mol
Optical Rotation [a]D25 = +47.0 (c = 0.1, CHCl3)
SMILES OC(CC[C@]([C@@]1([C@@]2([C@]([C@]3([C@]4([C@@]5([C@](C([C@](CC5)(O)[H])(C)C)(CC3)[H])C4)CC2)[H])(CC1)C)C)[H])(C)[H])C(C)=C
SPLASH splash10-00dl-9301100000-1e4f467515e2ab254e1d
Source of Spectrum G4-69-SM5-5-3
Wiley ID 1874186