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21.alpha.H-Hop-22(29)-ene
SpectraBase Compound ID AF485XiYaze
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-ROQFMIEXSA-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 1f90ImzFxY
Name 21.alpha.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-ROQFMIEXSA-N
Molecular Weight 410.730 g/mol
SMILES [C@@]12([C@]3(C([C@]4(CC[C@@](C4CC3)(C(=C)C)[H])C)CCC1[C@]1(CCCC(C1CC2)(C)C)C)C)C
SPLASH splash10-01p6-0901200000-fbdc203ce0ef4a5031f6
Source of Spectrum E1-40-1684-0
Synonyms (3S,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(1-methylethenyl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene (3S,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Wiley ID 1519436