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(17.alpha.H,21.beta.H)-Hop-22(29)-ene
SpectraBase Compound ID LyKcw3Elvay
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23+,24-,25?,27+,28+,29-,30-/m1/s1
InChIKey HHXYJYBYNZMZKX-QYJSFHCASA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kqoNPvbAsd
Name (17.alpha.H,21.beta.H)-Hop-22(29)-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23+,24-,25?,27+,28+,29-,30-/m1/s1
InChIKey HHXYJYBYNZMZKX-QYJSFHCASA-N
Molecular Weight 410.730 g/mol
SMILES [C@@]12([C@]3([C@]([C@]4(CC[C@@]([C@]4(CC3)[H])(C(=C)C)[H])C)([H])CCC1[C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)C)C
SPLASH splash10-0006-0901100000-e64826f4286075306980
Source of Spectrum AC-1977-169-0
Synonyms (3S,3aR,5aR,5bR,7aS,11aS,13aR,13bS)-3-isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene
Wiley ID 1373968