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17-BETA-H-HOP-21-ENE
SpectraBase Compound ID 6I7Svj4dGRB
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/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey CBZFLMNNXKRPHN-DRTOFSRZSA-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 1Xm9gFX7KOE
Name Hop-21(22)-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/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey CBZFLMNNXKRPHN-DRTOFSRZSA-N
Literature Reference DOI 10.1002/cbic.201800281
Molecular Weight 410.730 g/mol
SMILES C(C)(C)=C1CC[C@@]2(C)[C@@]1([H])CC[C@]1([C@]3([C@]([C@@]4([C@](CC3)([H])C(CCC4)(C)C)C)([H])CC[C@]21[H])C)C
SPLASH splash10-029f-4922100000-36611c063fb4eceeeddb
Source of Spectrum CBC-19-SM48-26
Synonyms (3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(propan-2-ylidene)icosahydro-1H-cyclopenta[a]chrysene
Wiley ID 1814178