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Cneorubin-Z
SpectraBase Compound ID HebEU6tbx2J
InChI InChI=1S/C20H32/c1-13(2)7-6-12-20(5)17-11-9-14(3)16-10-8-15(4)18(16)19(17)20/h7,15-19H,3,6,8-12H2,1-2,4-5H3/t15-,16+,17-,18-,19-,20+/m1/s1
InChIKey CEHLGENVDATDKI-BGSOWLKRSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J91Tbfxm1sO
Name Cneorubin-Z
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-13(2)7-6-12-20(5)17-11-9-14(3)16-10-8-15(4)18(16)19(17)20/h7,15-19H,3,6,8-12H2,1-2,4-5H3/t15-,16+,17-,18-,19-,20+/m1/s1
InChIKey CEHLGENVDATDKI-BGSOWLKRSA-N
Literature Reference DOI 10.1002/cber.19801131217
Molecular Weight 272.476 g/mol
SMILES [C@]12(C(CC[C@@]3([C@]([C@@]2([C@@](CC1)(C)[H])[H])([C@@]3(C)CCC=C(C)C)[H])[H])=C)[H]
SPLASH splash10-0aor-5910000000-f3107a1a9f92e4f3e084
Source of Spectrum K-113-3963-3863_3
Synonyms (1S,1aR,4aR,7R,7aR,7bS)-1,7-dimethyl-4-methylene-1-(4-methylpent-3-en-1-yl)decahydro-1H-cyclopropa[e]azulene
Wiley ID 1794391