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(1SR,5RS,9SR,13SR,18SR)-hexacyclo[16.3.0.0(15).0(5,9).0(9,13).0(13,17)]henicos-16-ene
SpectraBase Compound ID 2kBjRyMAnn6
InChI InChI=1S/C21H30/c1-4-14-7-8-17-15-12-18(19(14)17)21(13-15)11-3-10-20(21)9-2-6-16(20)5-1/h12,14-17,19H,1-11,13H2/t14-,15+,16+,17-,19-,20+,21-/m1/s1
InChIKey LQMMADLCEWTDOL-ZCFNEMSWSA-N
Mol Weight 282.47 g/mol
Molecular Formula C21H30
Exact Mass 282.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE8bp7aBr7Q
Name (1SR,5RS,9SR,13SR,18SR)-hexacyclo[16.3.0.0(15).0(5,9).0(9,13).0(13,17)]henicos-16-ene
CAS Registry Number 106115-38-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30
InChI InChI=1S/C21H30/c1-4-14-7-8-17-15-12-18(19(14)17)21(13-15)11-3-10-20(21)9-2-6-16(20)5-1/h12,14-17,19H,1-11,13H2/t14-,15+,16+,17-,19-,20+,21-/m1/s1
InChIKey LQMMADLCEWTDOL-ZCFNEMSWSA-N
Molecular Weight 282.471 g/mol
SMILES C1=2[C@@]34[C@]5([C@](CCC5)(CCC[C@]5([C@@]1([C@](CC5)([C@@](C2)(C4)[H])[H])[H])[H])[H])CCC3
SPLASH splash10-001l-0090000000-6a3baec41a3258145dbf
Source of Spectrum K-121-2176-21
Synonyms (1SR,5RS,9SR,13SR,18SR)-Hexacyclo[16.3.0.0(15).0(5,9).0(9,13).0(13,17)]henicos-16-en hexacyclo[16.3.0.0(1,5).0(3,7).0(6,10).0(14,18)]henicos-4-ene
Wiley ID 1286574