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17alpha(H),21beta(H)-HOPANE
SpectraBase Compound ID 17N6aYajvd2
InChI InChI=1S/C30H52/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/h20-25H,9-19H2,1-8H3/t21-,22-,23?,24?,25?,27+,28+,29-,30-/m1/s1
InChIKey ZRLNBWWGLOPJIC-MMKGHMEFSA-N
Mol Weight 412.7 g/mol
Molecular Formula C30H52
Exact Mass 412.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWk5UWrZoCJ
Name (17.alpha.H,21.beta.H)-Hopane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52
InChI InChI=1S/C30H52/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/h20-25H,9-19H2,1-8H3/t21-,22-,23?,24?,25?,27+,28+,29-,30-/m1/s1
InChIKey ZRLNBWWGLOPJIC-MMKGHMEFSA-N
Molecular Weight 412.746 g/mol
SMILES [C@@]12([C@]3(C([C@]4(CC[C@@]([C@]4(CC3)[H])(C(C)C)[H])C)CCC1[C@]1(CCCC(C1CC2)(C)C)C)C)C
SPLASH splash10-0006-0901100000-1b7552487ad9c74572bb
Source of Spectrum AC-1977-169-0
Synonyms (3R,3aR,5aR,5bR,11aS,13bS)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene (3R,3aR,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Wiley ID 1374897