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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 2NIJBRC7der
Name URS-12-EN-3.BETA.-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 426.386166229 u
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
Molecular Weight 426.729 g/mol
Nominal Mass 426 u
Number of Peaks 274
SMILES O[C@]1(CC[C@@]2([C@]3(CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)C)(C)[H])(C)[H])[H])[H])C)[H]
SPLASH splash10-014i-3890000000-1e0bacbc1312b909e489
Source File Reference LMCM-85652-106T
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms .ALPHA.-AMYRIN ALPHA-AMYRIN URS-12-EN-3-OL (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
Wiley ID 8_39149