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CNEORUBIN-X
SpectraBase Compound ID FKJ67ppw09y
InChI InChI=1S/C20H32O/c1-13(2)7-6-11-19(4)16-9-8-14(3)15-10-12-20(5,21)17(15)18(16)19/h7,15-18,21H,3,6,8-12H2,1-2,4-5H3/t15-,16+,17+,18+,19-,20-/m0/s1
InChIKey GDDLDYAOHQKMAN-SFUSBHMVSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiJGbtZxppo
Name [1S-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-Decahydro-1,7-dimethyl-1-(4-methyl-3-pentenyl)-4-methylen-1H-cycloprop[e]azulen-7-ol
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Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(2)7-6-11-19(4)16-9-8-14(3)15-10-12-20(5,21)17(15)18(16)19/h7,15-18,21H,3,6,8-12H2,1-2,4-5H3/t15-,16+,17+,18+,19-,20-/m0/s1
InChIKey GDDLDYAOHQKMAN-SFUSBHMVSA-N
Literature Reference DOI 10.1002/cber.19801131217
Molecular Weight 288.475 g/mol
SMILES O[C@@]1([C@@]2([C@](C(CC[C@@]3([C@]2([C@@]3(C)CCC=C(C)C)[H])[H])=C)(CC1)[H])[H])C
SPLASH splash10-0aor-9530000000-588f35ab5e0d69726700
Source of Spectrum K-113-3860-25
Synonyms Cneorubin-X (1S,1aR,4aR,7S,7aR,7bR)-1,7-dimethyl-4-methylene-1-(4-methylpent-3-en-1-yl)decahydro-1H-cyclopropa[e]azulen-7-ol
Wiley ID 1794387