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alpha-Amyrin
SpectraBase Compound ID Kkz2JXnEVu9
InChI InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey FSLPMRQHCOLESF-SFMCKYFRSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wABdFKrNbf
Name urs-12-en-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey FSLPMRQHCOLESF-SFMCKYFRSA-N
Instrument Name Thermo Finnigan Polaris Q
Ionization Type EI
Literature Reference DOI 10.1002/rcm.2507
Molecular Weight 426.729 g/mol
SMILES O[C@]1(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC=C2[C@]1(CC[C@@]1([C@]2([C@]([C@@](CC1)(C)[H])(C)[H])[H])C)C)[H])C)[H])C)[H]
SPLASH splash10-014i-2930000000-c6d374f03c21c8797272
Source of Spectrum RCM-20-1790-.alpha.-amyrine
Wiley ID 1836477