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alpha-Tocospiro B
SpectraBase Compound ID 5NRJBHS0AEy
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28+,29-/m1/s1
InChIKey NFNYYDIZCJKCQK-VBQXHZHXSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDq0t7pnTaf
Name .alpha.-Tocospiro B
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28+,29-/m1/s1
InChIKey NFNYYDIZCJKCQK-VBQXHZHXSA-N
Molecular Weight 462.715 g/mol
SMILES O[C@@]1([C@]2(C(C(C)=C1C)=O)O[C@@](CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])(C)CC2)C(=O)C
SPLASH splash10-014i-2100900000-b6d24976da185881cb1d
Source of Spectrum Y1-44-5128-2
Synonyms (2R,5R,9S)-9-acetyl-9-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.4]non-7-en-6-one
Wiley ID 1621542