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Fern-9(11)-ene
SpectraBase Compound ID VTQzSaF90u
InChI InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey ZHDRLFGZQZCZKX-BQOUFORSSA-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 E2c6GWnGC7E
Name (3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
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Formula C30H50
InChI InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey ZHDRLFGZQZCZKX-BQOUFORSSA-N
Molecular Weight 410.730 g/mol
SMILES [C@]12([C@@]([C@]3(CC[C@@]4([C@@](C3=CC2)(CCCC4(C)C)C)[H])[H])(CC[C@]2([C@]1(CC[C@@]2(C(C)C)[H])[H])C)C)C
SPLASH splash10-0005-0097200000-0122fa5a5b8fd76b1237
Source of Spectrum QA-27-116-0
Synonyms (3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
Wiley ID 860799